苯甲酰-丙氨酰-巯基乙酸
TL;DR: 苯甲酰-丙氨酰-巯基乙酸 (CAS 138079-74-0) is a chemical compound with molecular formula C12H12NO4S- and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酰-丙氨酰-巯基乙酸
(4S)-4-amino-2-benzoyl-3-oxo-2-sulfanylpentanoate
Also Known As: Bz-Ala-SG, Benzoyl-alanyl-thioglycolic acid, Benzoyl-alanyl-thioglycolate, N-Benzoyl-D-alanylthioglycolic acid, (R)-2-((2-Benzamidopropanoyl)thio)acetic acid
| Molecular Formula | C12H12NO4S- |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0487 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 138079-74-0 |
|---|---|
| SMILES | C[C@@H](C(=O)C(C(=O)C1=CC=CC=C1)(C(=O)[O-])S)N |
| InChIKey | QVQSCEBREHLSGI-KAJCPDDVSA-M |
Product Overview
苯甲酰-丙氨酰-巯基乙酸 (CAS 138079-74-0), with molecular formula C12H12NO4S- and molecular weight 266.05 g/mol. IUPAC: (4S)-4-amino-2-benzoyl-3-oxo-2-sulfanylpentanoate.
Chemical Property Profile of 苯甲酰-丙氨酰-巯基乙酸
Property Insights of 苯甲酰-丙氨酰-巯基乙酸
The XLogP value of -0.7 indicates that 苯甲酰-丙氨酰-巯基乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯甲酰-丙氨酰-巯基乙酸. Following Lipinski's Rule of Five, 苯甲酰-丙氨酰-巯基乙酸 has 2 hydrogen bond donor(s) and 6 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 苯甲酰-丙氨酰-巯基乙酸?
The CAS number of 苯甲酰-丙氨酰-巯基乙酸 is 138079-74-0.
What is the molecular formula of 苯甲酰-丙氨酰-巯基乙酸?
The molecular formula of 苯甲酰-丙氨酰-巯基乙酸 is C12H12NO4S-.
What is the molecular weight of 苯甲酰-丙氨酰-巯基乙酸?
The molecular weight of 苯甲酰-丙氨酰-巯基乙酸 is 266.05 g/mol.
Where can I buy 苯甲酰-丙氨酰-巯基乙酸?
You can request a quote for 苯甲酰-丙氨酰-巯基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰-丙氨酰-巯基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰-丙氨酰-巯基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.