3-(2-氯乙酰氨基)苯-1-磺酰氟
TL;DR: 3-(2-氯乙酰氨基)苯-1-磺酰氟 (CAS 6627-68-5) is a chemical compound with molecular formula C8H7ClFNO3S and molecular weight 250.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-氯乙酰氨基)苯-1-磺酰氟
3-[(2-chloroacetyl)amino]benzenesulfonyl fluoride
Also Known As: starbld0019435, JC19, 3-(2-Chloroacetamido)benzene-1-sulfonyl fluoride, 3-[(2-chloroacetyl)amino]benzenesulfonyl fluoride, 3-[(chloroacetyl)amino]benzenesulfonyl fluoride
| Molecular Formula | C8H7ClFNO3S |
|---|---|
| Molecular Weight | 250.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.98192 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 6627-68-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)CCl |
| InChIKey | KQSHMTAZDJGFQB-UHFFFAOYSA-N |
Product Overview
3-(2-氯乙酰氨基)苯-1-磺酰氟 (CAS 6627-68-5), with molecular formula C8H7ClFNO3S and molecular weight 250.98 g/mol. IUPAC: 3-[(2-chloroacetyl)amino]benzenesulfonyl fluoride.
Chemical Property Profile of 3-(2-氯乙酰氨基)苯-1-磺酰氟
Property Insights of 3-(2-氯乙酰氨基)苯-1-磺酰氟
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-氯乙酰氨基)苯-1-磺酰氟. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-氯乙酰氨基)苯-1-磺酰氟. Following Lipinski's Rule of Five, 3-(2-氯乙酰氨基)苯-1-磺酰氟 has 1 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 3-(2-氯乙酰氨基)苯-1-磺酰氟?
The CAS number of 3-(2-氯乙酰氨基)苯-1-磺酰氟 is 6627-68-5.
What is the molecular formula of 3-(2-氯乙酰氨基)苯-1-磺酰氟?
The molecular formula of 3-(2-氯乙酰氨基)苯-1-磺酰氟 is C8H7ClFNO3S.
What is the molecular weight of 3-(2-氯乙酰氨基)苯-1-磺酰氟?
The molecular weight of 3-(2-氯乙酰氨基)苯-1-磺酰氟 is 250.98 g/mol.
Where can I buy 3-(2-氯乙酰氨基)苯-1-磺酰氟?
You can request a quote for 3-(2-氯乙酰氨基)苯-1-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 3-(2-氯乙酰氨基)苯-1-磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-氯乙酰氨基)苯-1-磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.