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Screening compounds

Benzotript

Also known as Benzotripte, N-(p-Chlorobenzoyl)-L-tryptophan, L-Tryptophan, N-(4-chlorobenzoyl)-

CAS 39544-74-6Formula C18H15ClN2O3Molar mass 342.78 g/molEC 254-500-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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Benzotript chemical structure, C18H15ClN2O3, CAS 39544-74-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39544-74-6
Formula
C18H15ClN2O3
Molar mass
342.78 g/mol
EC number
254-500-0
HS code
293399
Category
Screening compounds

What is Benzotript?

Plain description, key identifiers and synonyms

Benzotript is a chemical substance with the molecular formula C18H15ClN2O3 and a molar mass of 342.78 g/mol. Its CAS registry number is 39544-74-6. The IUPAC name is (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS number
39544-74-6 CAS number cross-checked
EC number
254-500-0
Molecular formula
C18H15ClN2O3
UNII
LS5O682BRO
InChIKey
QJERBBQXOMUURJ-INIZCTEOSA-N
InChI
InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1
Canonical SMILES
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

Synonyms

  • Benzotripte
  • N-(p-Chlorobenzoyl)-L-tryptophan
  • L-Tryptophan, N-(4-chlorobenzoyl)-
  • N-(4-chlorobenzoyl)-L-tryptophan
  • Benzotripto
  • (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
  • (2S)-2-[(4-chlorophenyl)formamido]-3-(1H-indol-3-yl)propanoic acid
  • Benzotriptum
  • (4-chlorobenzoyl)-L-tryptophan
  • 2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid
  • N-p-chlorobenzoyl-L-tryptophane
  • (S)-2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
342.78 g/molcalc.
Exact mass
342.0771 Dacalc.
LogP (octanol/water)
3.25calc.
Topological polar surface area
82.19 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.11calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NCCc1c[nH]c2ccccc12)c1ccccc1

O=C(NCCc1c[nH]c2ccccc12)c1ccccc1

3 rings, 20 atoms, the N-(2-(1H-Indol-3-yl)ethyl)benzamide ring system.

189 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Benzotript suppliers

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Benzotript price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Ulcer Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Benzotript is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Benzotript is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Benzotript, based on the data on this page

What is Benzotript?

Benzotript is a chemical substance with the molecular formula C18H15ClN2O3 and a molar mass of 342.78 g/mol. Its CAS registry number is 39544-74-6. The IUPAC name is (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid.

What is the CAS number of Benzotript?

The CAS registry number of Benzotript is 39544-74-6.

What is the molecular formula and weight of Benzotript?

The molecular formula of Benzotript is C18H15ClN2O3 and its molar mass is 342.78 g/mol.

What is Benzotript used for?

Known uses and roles of Benzotript include building blocks in research and laboratory, screening compounds in research and laboratory and anti-ulcer agents.

Is Benzotript hazardous?

Benzotript carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzotript?

Benzotript is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzotript?

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What is the price of Benzotript?

Suppliers quote Benzotript on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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