N-(3-Chloropropanoyl)-3-sulfanylvaline
TL;DR: N-(3-Chloropropanoyl)-3-sulfanylvaline (CAS 5246-99-1) is a chemical compound with molecular formula C8H14ClNO3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloropropanoylamino)-3-methyl-3-sulfanylbutanoic acid
Also Known As: N-(3-Chloropropanoyl)-3-sulfanylvaline, 2-(3-chloropropanoylamino)-3-methyl-3-sulfanylbutanoic acid
| Molecular Formula | C8H14ClNO3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.0383 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5246-99-1 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)NC(=O)CCCl)S |
| InChIKey | RFGVOHAXIWZQQF-UHFFFAOYSA-N |
Product Overview
N-(3-Chloropropanoyl)-3-sulfanylvaline (CAS 5246-99-1), with molecular formula C8H14ClNO3S and molecular weight 239.04 g/mol. IUPAC: 2-(3-chloropropanoylamino)-3-methyl-3-sulfanylbutanoic acid.
Chemical Property Profile of N-(3-Chloropropanoyl)-3-sulfanylvaline
Property Insights of N-(3-Chloropropanoyl)-3-sulfanylvaline
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloropropanoyl)-3-sulfanylvaline. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chloropropanoyl)-3-sulfanylvaline. Following Lipinski's Rule of Five, N-(3-Chloropropanoyl)-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-(3-Chloropropanoyl)-3-sulfanylvaline?
The CAS number of N-(3-Chloropropanoyl)-3-sulfanylvaline is 5246-99-1.
What is the molecular formula of N-(3-Chloropropanoyl)-3-sulfanylvaline?
The molecular formula of N-(3-Chloropropanoyl)-3-sulfanylvaline is C8H14ClNO3S.
What is the molecular weight of N-(3-Chloropropanoyl)-3-sulfanylvaline?
The molecular weight of N-(3-Chloropropanoyl)-3-sulfanylvaline is 239.04 g/mol.
Where can I buy N-(3-Chloropropanoyl)-3-sulfanylvaline?
You can request a quote for N-(3-Chloropropanoyl)-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-(3-Chloropropanoyl)-3-sulfanylvaline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloropropanoyl)-3-sulfanylvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.