4-氯-2-甲基苯磺酰氟
TL;DR: 4-氯-2-甲基苯磺酰氟 (CAS 25300-27-0) 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.
4-氯-2-甲基苯磺酰氟
4-chloro-2-methylbenzenesulfonyl fluoride
Also Known As: 4-Chloro-2-methylbenzene-1-sulfonyl fluoride, 4-chloro-2-methylbenzenesulfonyl fluoride, Benzenesulfonylfluoride, 4-chloro-2-methyl-, Benzenesulfonylfluoride,4-chloro-2-methyl, 4-Chloro-2-methylbenzene-1-sulfonylfluoride
| 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 | 25300-27-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)S(=O)(=O)F |
| InChIKey | OQXCXFBISRKCOG-UHFFFAOYSA-N |
Product Overview
4-氯-2-甲基苯磺酰氟 (CAS 25300-27-0), with molecular formula C7H6ClFO2S and molecular weight 207.98 g/mol. IUPAC: 4-chloro-2-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 4-氯-2-甲基苯磺酰氟
Property Insights of 4-氯-2-甲基苯磺酰氟
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2-甲基苯磺酰氟. With a topological polar surface area (TPSA) of 42.5 Ų, 4-氯-2-甲基苯磺酰氟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2-甲基苯磺酰氟 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 4-氯-2-甲基苯磺酰氟?
The CAS number of 4-氯-2-甲基苯磺酰氟 is 25300-27-0.
What is the molecular formula of 4-氯-2-甲基苯磺酰氟?
The molecular formula of 4-氯-2-甲基苯磺酰氟 is C7H6ClFO2S.
What is the molecular weight of 4-氯-2-甲基苯磺酰氟?
The molecular weight of 4-氯-2-甲基苯磺酰氟 is 207.98 g/mol.
Where can I buy 4-氯-2-甲基苯磺酰氟?
You can request a quote for 4-氯-2-甲基苯磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2-甲基苯磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2-甲基苯磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.