3-氯-4-(氟磺酰基)苯甲酸
TL;DR: 3-氯-4-(氟磺酰基)苯甲酸 (CAS 33866-05-6) is a chemical compound with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-4-(氟磺酰基)苯甲酸
3-chloro-4-fluorosulfonylbenzoic acid
Also Known As: 3-CHLORO-4-(FLUOROSULFONYL)BENZOIC ACID, Benzoicacid, 3-chloro-4-(fluorosulfonyl)-, 3-chloro-4-fluorosulfonylbenzoic acid, 3-chloro-4-fluorosulfonyl-benzoic acid, Benzoicacid,3-chloro-4-(fluorosulfonyl)
| Molecular Formula | C7H4ClFO4S |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.95029 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 33866-05-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)S(=O)(=O)F |
| InChIKey | JGXQPRQNKIOTQF-UHFFFAOYSA-N |
Product Overview
3-氯-4-(氟磺酰基)苯甲酸 (CAS 33866-05-6), with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol. IUPAC: 3-chloro-4-fluorosulfonylbenzoic acid.
Chemical Property Profile of 3-氯-4-(氟磺酰基)苯甲酸
Property Insights of 3-氯-4-(氟磺酰基)苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-4-(氟磺酰基)苯甲酸. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氯-4-(氟磺酰基)苯甲酸. Following Lipinski's Rule of Five, 3-氯-4-(氟磺酰基)苯甲酸 has 1 hydrogen bond donor(s) and 5 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-氯-4-(氟磺酰基)苯甲酸?
The CAS number of 3-氯-4-(氟磺酰基)苯甲酸 is 33866-05-6.
What is the molecular formula of 3-氯-4-(氟磺酰基)苯甲酸?
The molecular formula of 3-氯-4-(氟磺酰基)苯甲酸 is C7H4ClFO4S.
What is the molecular weight of 3-氯-4-(氟磺酰基)苯甲酸?
The molecular weight of 3-氯-4-(氟磺酰基)苯甲酸 is 237.95 g/mol.
Where can I buy 3-氯-4-(氟磺酰基)苯甲酸?
You can request a quote for 3-氯-4-(氟磺酰基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-4-(氟磺酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-4-(氟磺酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.