5-Benzoyl-2-methoxybenzenesulfonyl chloride
TL;DR: 5-Benzoyl-2-methoxybenzenesulfonyl chloride (CAS 112699-07-7) is a chemical compound with molecular formula C14H11ClO4S and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-2-methoxybenzenesulfonyl chloride
Also Known As: 5-benzoyl-2-methoxybenzenesulfonyl chloride, 1,3-Dithiane, 5-Benzoyl-2-methoxybenzene-1-sulfonyl chloride, 5-benzoyl-2-methoxy-benzenesulfonyl Chloride, Benzenesulfonylchloride, 5-benzoyl-2-methoxy-
| Molecular Formula | C14H11ClO4S |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 2.8537 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.00665 |
| Heavy Atoms | 20 |
| Complexity | 739.0242 |
Chemical Identifiers
| CAS Number | 112699-07-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)S(=O)(=O)Cl |
Product Overview
5-Benzoyl-2-methoxybenzenesulfonyl chloride (CAS 112699-07-7), with molecular formula C14H11ClO4S and molecular weight 310.01 g/mol. IUPAC: 5-benzoyl-2-methoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-Benzoyl-2-methoxybenzenesulfonyl chloride
Property Insights of 5-Benzoyl-2-methoxybenzenesulfonyl chloride
The XLogP value of 2.8537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoyl-2-methoxybenzenesulfonyl chloride. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoyl-2-methoxybenzenesulfonyl chloride. Following Lipinski's Rule of Five, 5-Benzoyl-2-methoxybenzenesulfonyl chloride has 0 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 5-Benzoyl-2-methoxybenzenesulfonyl chloride?
The CAS number of 5-Benzoyl-2-methoxybenzenesulfonyl chloride is 112699-07-7.
What is the molecular formula of 5-Benzoyl-2-methoxybenzenesulfonyl chloride?
The molecular formula of 5-Benzoyl-2-methoxybenzenesulfonyl chloride is C14H11ClO4S.
What is the molecular weight of 5-Benzoyl-2-methoxybenzenesulfonyl chloride?
The molecular weight of 5-Benzoyl-2-methoxybenzenesulfonyl chloride is 310.01 g/mol.
Where can I buy 5-Benzoyl-2-methoxybenzenesulfonyl chloride?
You can request a quote for 5-Benzoyl-2-methoxybenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoyl-2-methoxybenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-2-methoxybenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.