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Screening compounds

ASB 14780

Also known as 3-[1-(4-Phenoxyphenyl)-3-(2-phenylethyl)-1H-indol-5-yl]propanoic acid tromethamine salt, ASB 14780New, ASB14780, >=98% (HPLC)

CAS 1069046-00-9Formula C35H38N2O6Molar mass 582.70 g/mol
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ASB 14780 chemical structure, C35H38N2O6, CAS 1069046-00-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1069046-00-9
Formula
C35H38N2O6
Molar mass
582.70 g/mol
HS code
293399
Category
Screening compounds

What is ASB 14780?

Plain description, key identifiers and synonyms

ASB 14780 is a chemical substance with the molecular formula C35H38N2O6 and a molar mass of 582.70 g/mol. Its CAS registry number is 1069046-00-9. The IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol, 3-[1-(4-phenoxyphenyl)-3-(2-phenylethyl)indol-5-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-2-(hydroxymethyl)propane-1,3-diol, 3-[1-(4-phenoxyphenyl)-3-(2-phenylethyl)indol-5-yl]propanoic acid
CAS number
1069046-00-9Other or deprecated CAS: 1069044-40-1
Molecular formula
C35H38N2O6
InChIKey
MBPXGBINIINSEU-UHFFFAOYSA-N
InChI
InChI=1S/C31H27NO3.C4H11NO3/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27;5-4(1-6,2-7)3-8/h1-10,12,15-19,21-22H,11,13-14,20H2,(H,33,34);6-8H,1-3,5H2
SMILES (canonical and isomeric)
C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5.C(C(CO)(CO)N)O

Synonyms

  • 3-[1-(4-Phenoxyphenyl)-3-(2-phenylethyl)-1H-indol-5-yl]propanoic acid tromethamine salt
  • ASB 14780New
  • ASB14780, >=98% (HPLC)
  • 3-(3-Phenethyl-1-(4-phenoxyphenyl)-1H-indol-5-yl)propanoic acid tris salt

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
582.70 g/molcalc.
Exact mass
582.273 Dacalc.
LogP (octanol/water)
4.89calc.
Topological polar surface area
138.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
12calc.
Heavy atoms
43calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc(CCc2cn(-c3ccc(Oc4ccccc4)cc3)c3ccccc23)cc1

c1ccc(CCc2cn(-c3ccc(Oc4ccccc4)cc3)c3ccccc23)cc1

5 rings, 30 atoms.

No other chemical in our database has 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.

ASB 14780 suppliers

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ASB 14780 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 ASB 14780 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 ASB 14780 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about ASB 14780, based on the data on this page

What is ASB 14780?

ASB 14780 is a chemical substance with the molecular formula C35H38N2O6 and a molar mass of 582.70 g/mol. Its CAS registry number is 1069046-00-9. The IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol, 3-[1-(4-phenoxyphenyl)-3-(2-phenylethyl)indol-5-yl]propanoic acid.

What is the CAS number of ASB 14780?

The CAS registry number of ASB 14780 is 1069046-00-9. Other or deprecated CAS numbers: 1069044-40-1.

What is the molecular formula and weight of ASB 14780?

The molecular formula of ASB 14780 is C35H38N2O6 and its molar mass is 582.70 g/mol.

What is ASB 14780 used for?

Known uses and roles of ASB 14780 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is ASB 14780 hazardous?

No GHS hazard classification for ASB 14780 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 ASB 14780?

ASB 14780 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 ASB 14780?

Post a free request on CompoundList and suppliers of ASB 14780 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of ASB 14780?

Suppliers quote ASB 14780 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 ASB 14780

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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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