(S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid
TL;DR: (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid (CAS 1173681-38-3) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-(pyridin-3-ylmethylcarbamoylamino)propanoic acid
Also Known As: 3-phenyl-2-(pyridin-3-ylmethylcarbamoylamino)propanoic Acid, (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid, (2S)-3-phenyl-2-(pyridin-3-ylmethylcarbamoylamino)propanoic acid
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 1.5767 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 617.04785 |
Chemical Identifiers
| CAS Number | 1173681-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NCC2=CN=CC=C2 |
Product Overview
(S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid (CAS 1173681-38-3), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: (2S)-3-phenyl-2-(pyridin-3-ylmethylcarbamoylamino)propanoic acid.
Chemical Property Profile of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid
Property Insights of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid
The XLogP value of 1.5767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid. The TPSA of 91.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid has 3 hydrogen bond donor(s) and 3 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-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid?
The CAS number of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid is 1173681-38-3.
What is the molecular formula of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid?
The molecular formula of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid is C16H17N3O3.
What is the molecular weight of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid?
The molecular weight of (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid is 299.13 g/mol.
Where can I buy (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid?
You can request a quote for (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)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-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-phenyl-2-(3-(pyridin-3-ylmethyl)ureido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.