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Screening compounds

Orb3174247

CAS 1884551-35-2Formula C23H27N3O7Molar mass 457.48 g/mol
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Orb3174247 chemical structure, C23H27N3O7, CAS 1884551-35-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1884551-35-2
Formula
C23H27N3O7
Molar mass
457.48 g/mol
HS code
292800
Category
Screening compounds

What is Orb3174247?

Plain description, key identifiers and synonyms

Orb3174247 is a chemical substance with the molecular formula C23H27N3O7 and a molar mass of 457.48 g/mol. Its CAS registry number is 1884551-35-2. The IUPAC name is (2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide, hydrate
CAS number
1884551-35-2
Molecular formula
C23H27N3O7
InChIKey
PLHLITBEWJAPSE-GZAZMHIXSA-N
InChI
InChI=1S/C23H25N3O6.H2O/c1-23(21(30)24-2,22(31)25-32)26(3)20(29)18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)19(28)14-27;/h6-13,19,27-28,32H,14H2,1-3H3,(H,24,30)(H,25,31);1H2/t19-,23+;/m1./s1
Canonical SMILES
CNC(=O)C(C)(C(=O)NO)N(C)C(=O)c1ccc(C#Cc2ccc(C(O)CO)cc2)cc1.O
Isomeric SMILES
C[C@](C(=O)NC)(C(=O)NO)N(C)C(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[C@@H](CO)O.O

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
457.48 g/molcalc.
Exact mass
457.1849 Dacalc.
LogP (octanol/water)
-0.63calc.
Topological polar surface area
170.7 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.26calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, C(#Cc1ccccc1)c1ccccc1

C(#Cc1ccccc1)c1ccccc1

2 rings, 14 atoms, the Diphenylacetylene ring system.

794 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb3174247 suppliers

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Orb3174247 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

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 Orb3174247 is traded under.

HS 2928.00Indicative HS code

Organic derivatives of hydrazine or of hydroxylamine

World exports in 2024
$1.38B
−9.0% vs 2023, imports $1.52B
2019 to 2024
Top exporters
  1. Switzerland * partner reported44.0%
  2. China18.4%
  3. Italy9.4%
Top importers
  1. Brazil21.8%
  2. United States12.8%
  3. Italy10.8%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3174247 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3174247, based on the data on this page

What is Orb3174247?

Orb3174247 is a chemical substance with the molecular formula C23H27N3O7 and a molar mass of 457.48 g/mol. Its CAS registry number is 1884551-35-2. The IUPAC name is (2S)-2-[[4-[2-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide, hydrate.

What is the CAS number of Orb3174247?

The CAS registry number of Orb3174247 is 1884551-35-2.

What is the molecular formula and weight of Orb3174247?

The molecular formula of Orb3174247 is C23H27N3O7 and its molar mass is 457.48 g/mol.

What is Orb3174247 used for?

Known uses and roles of Orb3174247 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3174247 hazardous?

No GHS hazard classification for Orb3174247 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3174247?

Orb3174247 is usually classified under HS code 292800 (Organic derivatives of hydrazine or of hydroxylamine). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3174247?

Post a free request on CompoundList and suppliers of Orb3174247 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3174247?

Suppliers quote Orb3174247 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

Practical guides that help when you source, ship or handle Orb3174247

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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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