![(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid structure](/static/products/118/1187591-63-4.png)
(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
TL;DR: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid (CAS 1187591-63-4) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid, 3-(4-methylphenyl)-3-phenylmethoxycarbonylamino-propanoic Acid, (3S)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid, (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoicacid
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.43722 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 652.4816 |
Chemical Identifiers
| CAS Number | 1187591-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2 |
Product Overview
(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid (CAS 1187591-63-4), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: (3S)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
Property Insights of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
The XLogP value of 3.43722 indicates that (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid has 2 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 (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The CAS number of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is 1187591-63-4.
What is the molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is C18H19NO4.
What is the molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is 313.13 g/mol.
Where can I buy (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
You can request a quote for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.