Valine, N-benzoyl-3-mercaptothio-
TL;DR: Valine, N-benzoyl-3-mercaptothio- (CAS 91641-20-2) is a chemical compound with molecular formula C12H15NO3S2 and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(disulfanyl)-3-methylbutanoic acid
Also Known As: N-Benzoyl-3-mercaptothiovaline, Valine, N-benzoyl-3-mercaptothio-, alpha-Benzolyamino-beta-mercaptoisovaleric-thiol acid, Butyric acid, 2-benzamido-3-mercapto-3-methylthio-, 2-benzamido-3-(disulfanyl)-3-methylbutanoic acid
| Molecular Formula | C12H15NO3S2 |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 2.2262 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.04935 |
| Heavy Atoms | 18 |
| Complexity | 434.20847 |
Chemical Identifiers
| CAS Number | 91641-20-2 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1)SS |
Product Overview
Valine, N-benzoyl-3-mercaptothio- (CAS 91641-20-2), with molecular formula C12H15NO3S2 and molecular weight 285.05 g/mol. IUPAC: 2-benzamido-3-(disulfanyl)-3-methylbutanoic acid.
Chemical Property Profile of Valine, N-benzoyl-3-mercaptothio-
Property Insights of Valine, N-benzoyl-3-mercaptothio-
The XLogP value of 2.2262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine, N-benzoyl-3-mercaptothio-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine, N-benzoyl-3-mercaptothio-. Following Lipinski's Rule of Five, Valine, N-benzoyl-3-mercaptothio- has 3 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 Valine, N-benzoyl-3-mercaptothio-?
The CAS number of Valine, N-benzoyl-3-mercaptothio- is 91641-20-2.
What is the molecular formula of Valine, N-benzoyl-3-mercaptothio-?
The molecular formula of Valine, N-benzoyl-3-mercaptothio- is C12H15NO3S2.
What is the molecular weight of Valine, N-benzoyl-3-mercaptothio-?
The molecular weight of Valine, N-benzoyl-3-mercaptothio- is 285.05 g/mol.
Where can I buy Valine, N-benzoyl-3-mercaptothio-?
You can request a quote for Valine, N-benzoyl-3-mercaptothio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine, N-benzoyl-3-mercaptothio-?
Yes, KEHONG BIO provides custom synthesis services for Valine, N-benzoyl-3-mercaptothio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.