3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
TL;DR: 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid (CAS 2640-52-0) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: 2-phenylmethoxycarbonylamino-3-tert-butylsulfanyl-propanoic Acid, 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid, (2R)-3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 2640-52-0 |
|---|---|
| SMILES | CC(C)(C)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | VZQPQMYTSLCEFW-UHFFFAOYSA-N |
Product Overview
3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid (CAS 2640-52-0), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid.
Chemical Property Profile of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
Property Insights of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid. Following Lipinski's Rule of Five, 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The CAS number of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid is 2640-52-0.
What is the molecular formula of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The molecular formula of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid is C15H21NO4S.
What is the molecular weight of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid?
The molecular weight of 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid is 311.12 g/mol.
Where can I buy 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid?
You can request a quote for 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.