3-oxoboranylbenzoyl Chloride
TL;DR: 3-oxoboranylbenzoyl Chloride (CAS 959918-40-2) is a chemical compound with molecular formula C7H4BClO2 and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxoboranylbenzoyl chloride
Also Known As: 3-oxoboranylbenzoyl Chloride, 3-Chlorocarbonylphenylboronic Anhydride, 3-(oxoboranyl)benzoyl chloride, 3-BORONOBENZOYL CHLORIDE, Benzoylchloride-3-boronic acid
| Molecular Formula | C7H4BClO2 |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | 0.7406 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.99928 |
| Heavy Atoms | 11 |
| Complexity | 298.24698 |
Chemical Identifiers
| CAS Number | 959918-40-2 |
|---|---|
| SMILES | B(=O)C1=CC(=CC=C1)C(=O)Cl |
Product Overview
3-oxoboranylbenzoyl Chloride (CAS 959918-40-2), with molecular formula C7H4BClO2 and molecular weight 166.00 g/mol. IUPAC: 3-oxoboranylbenzoyl chloride.
Chemical Property Profile of 3-oxoboranylbenzoyl Chloride
Property Insights of 3-oxoboranylbenzoyl Chloride
The XLogP value of 0.7406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxoboranylbenzoyl Chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 3-oxoboranylbenzoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxoboranylbenzoyl Chloride has 0 hydrogen bond donor(s) and 2 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-oxoboranylbenzoyl Chloride?
The CAS number of 3-oxoboranylbenzoyl Chloride is 959918-40-2.
What is the molecular formula of 3-oxoboranylbenzoyl Chloride?
The molecular formula of 3-oxoboranylbenzoyl Chloride is C7H4BClO2.
What is the molecular weight of 3-oxoboranylbenzoyl Chloride?
The molecular weight of 3-oxoboranylbenzoyl Chloride is 166.00 g/mol.
Where can I buy 3-oxoboranylbenzoyl Chloride?
You can request a quote for 3-oxoboranylbenzoyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxoboranylbenzoyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-oxoboranylbenzoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.