2-Chloro-3-methylbenzene-1-sulfonyl fluoride
TL;DR: 2-Chloro-3-methylbenzene-1-sulfonyl fluoride (CAS 30885-55-3) is a chemical compound with molecular formula C7H6ClFO2S and molecular weight 207.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methylbenzenesulfonyl fluoride
Also Known As: 2-chloro-3-methylbenzenesulfonyl fluoride, 2-chloro-3-methylbenzene-1-sulfonyl fluoride
| Molecular Formula | C7H6ClFO2S |
|---|---|
| Molecular Weight | 207.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.9761 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 30885-55-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)S(=O)(=O)F)Cl |
| InChIKey | SMDVXIHWBZHFLR-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-methylbenzene-1-sulfonyl fluoride (CAS 30885-55-3), with molecular formula C7H6ClFO2S and molecular weight 207.98 g/mol. IUPAC: 2-chloro-3-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride
Property Insights of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methylbenzene-1-sulfonyl fluoride. With a topological polar surface area (TPSA) of 42.5 Ų, 2-Chloro-3-methylbenzene-1-sulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-methylbenzene-1-sulfonyl fluoride has 0 hydrogen bond donor(s) and 3 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 2-Chloro-3-methylbenzene-1-sulfonyl fluoride?
The CAS number of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride is 30885-55-3.
What is the molecular formula of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride?
The molecular formula of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride is C7H6ClFO2S.
What is the molecular weight of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride?
The molecular weight of 2-Chloro-3-methylbenzene-1-sulfonyl fluoride is 207.98 g/mol.
Where can I buy 2-Chloro-3-methylbenzene-1-sulfonyl fluoride?
You can request a quote for 2-Chloro-3-methylbenzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-methylbenzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methylbenzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.