3-Phenyl-butyryl chloride
TL;DR: 3-Phenyl-butyryl chloride (CAS 51552-98-8) 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.
3-phenylbutanoyl chloride
Also Known As: 3-Phenyl-butyryl chloride, 3-phenylbutanoyl chloride, 3-Phenylbutyryl chloride, 3-Phenyl-butyrylchloride, ss-Phenylbuttersaurechlorid
| 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 | 51552-98-8 |
|---|---|
| SMILES | CC(CC(=O)Cl)C1=CC=CC=C1 |
Product Overview
3-Phenyl-butyryl chloride (CAS 51552-98-8), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 3-phenylbutanoyl chloride.
Chemical Property Profile of 3-Phenyl-butyryl chloride
Property Insights of 3-Phenyl-butyryl chloride
The XLogP value of 2.9456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-butyryl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Phenyl-butyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-butyryl 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 3-Phenyl-butyryl chloride?
The CAS number of 3-Phenyl-butyryl chloride is 51552-98-8.
What is the molecular formula of 3-Phenyl-butyryl chloride?
The molecular formula of 3-Phenyl-butyryl chloride is C10H11ClO.
What is the molecular weight of 3-Phenyl-butyryl chloride?
The molecular weight of 3-Phenyl-butyryl chloride is 182.05 g/mol.
Where can I buy 3-Phenyl-butyryl chloride?
You can request a quote for 3-Phenyl-butyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-butyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-butyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.