N-Formyl-3-sulfanylvaline
TL;DR: N-Formyl-3-sulfanylvaline (CAS 6335-66-6) is a chemical compound with molecular formula C6H11NO3S and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-formamido-3-methyl-3-sulfanylbutanoic acid
Also Known As: N-Formyl-3-mercaptovaline, N-Formyl-3-sulfanylvaline, D-N-FORMYLPENICILLAMINE, DL-Piperacillin EP Impurity I, 2-Formamido-3-mercapto-3-methylbutanoic acid
| Molecular Formula | C6H11NO3S |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.04596 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6335-66-6 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)NC=O)S |
| InChIKey | ANCLDHSEMKEXLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Formyl-3-sulfanylvaline (CAS 6335-66-6), with molecular formula C6H11NO3S and molecular weight 177.05 g/mol. IUPAC: 2-formamido-3-methyl-3-sulfanylbutanoic acid.
Chemical Property Profile of N-Formyl-3-sulfanylvaline
Property Insights of N-Formyl-3-sulfanylvaline
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formyl-3-sulfanylvaline. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formyl-3-sulfanylvaline. Following Lipinski's Rule of Five, N-Formyl-3-sulfanylvaline 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 N-Formyl-3-sulfanylvaline?
The CAS number of N-Formyl-3-sulfanylvaline is 6335-66-6.
What is the molecular formula of N-Formyl-3-sulfanylvaline?
The molecular formula of N-Formyl-3-sulfanylvaline is C6H11NO3S.
What is the molecular weight of N-Formyl-3-sulfanylvaline?
The molecular weight of N-Formyl-3-sulfanylvaline is 177.05 g/mol.
Where can I buy N-Formyl-3-sulfanylvaline?
You can request a quote for N-Formyl-3-sulfanylvaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formyl-3-sulfanylvaline?
Yes, KEHONG BIO provides custom synthesis services for N-Formyl-3-sulfanylvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.