(3S)-3-phenylbutanoyl chloride
TL;DR: (3S)-3-phenylbutanoyl chloride (CAS 68679-84-5) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-phenylbutanoyl chloride
Also Known As: (3S)-3-phenylbutanoyl chloride, (S)-3-phenylbutanoyl chloride, Benzenepropanoyl chloride, beta-methyl-, (betaS)-
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 2.9456 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 255.8009 |
Chemical Identifiers
| CAS Number | 68679-84-5 |
|---|---|
| SMILES | C[C@@H](CC(=O)Cl)C1=CC=CC=C1 |
Product Overview
(3S)-3-phenylbutanoyl chloride (CAS 68679-84-5), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: (3S)-3-phenylbutanoyl chloride.
Chemical Property Profile of (3S)-3-phenylbutanoyl chloride
Property Insights of (3S)-3-phenylbutanoyl chloride
The XLogP value of 2.9456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-phenylbutanoyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, (3S)-3-phenylbutanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-phenylbutanoyl chloride has 0 hydrogen bond donor(s) and 1 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 (3S)-3-phenylbutanoyl chloride?
The CAS number of (3S)-3-phenylbutanoyl chloride is 68679-84-5.
What is the molecular formula of (3S)-3-phenylbutanoyl chloride?
The molecular formula of (3S)-3-phenylbutanoyl chloride is C10H11ClO.
What is the molecular weight of (3S)-3-phenylbutanoyl chloride?
The molecular weight of (3S)-3-phenylbutanoyl chloride is 182.05 g/mol.
Where can I buy (3S)-3-phenylbutanoyl chloride?
You can request a quote for (3S)-3-phenylbutanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-phenylbutanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-phenylbutanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.