(S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid
TL;DR: (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid (CAS 438056-19-0) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanoic acid
Also Known As: (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid, 3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanoic Acid, (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanoic acid
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.9853 |
| Topological Polar Surface Area | 94.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 858.0862 |
Chemical Identifiers
| CAS Number | 438056-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O |
Product Overview
(S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid (CAS 438056-19-0), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanoic acid.
Chemical Property Profile of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid
Property Insights of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid
The XLogP value of 2.9853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid. The TPSA of 94.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid?
The CAS number of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid is 438056-19-0.
What is the molecular formula of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid?
The molecular formula of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid is C18H17N3O3.
What is the molecular weight of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid?
The molecular weight of (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid is 323.13 g/mol.
Where can I buy (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid?
You can request a quote for (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1H-indol-3-yl)-2-(3-phenylureido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.