(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
TL;DR: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid (CAS 1228784-40-4) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(phenylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid
Also Known As: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid, 3-phenylmethoxycarbonylamino-3-thiophen-2-yl-propanoic Acid, (3S)-3-(phenylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid, (S)-3-(benzyloxycarbonylamino)-3-(thiophen-2-yl)propanoic acid
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 3.1903 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 582.9858 |
Chemical Identifiers
| CAS Number | 1228784-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C2=CC=CS2 |
Product Overview
(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid (CAS 1228784-40-4), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: (3S)-3-(phenylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid.
Chemical Property Profile of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
Property Insights of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid
The XLogP value of 3.1903 indicates that (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)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-(thiophen-2-yl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-(thiophen-2-yl)propanoic acid?
The CAS number of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid is 1228784-40-4.
What is the molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid?
The molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid is C15H15NO4S.
What is the molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid?
The molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid is 305.07 g/mol.
Where can I buy (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid?
You can request a quote for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)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-(thiophen-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.