2,3-二氢-2-氧代-6-苯并噁唑磺酰氯
TL;DR: 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 (CAS 27685-90-1) is a chemical compound with molecular formula C7H4ClNO4S and molecular weight 232.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-2-氧代-6-苯并噁唑磺酰氯
2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Also Known As: 2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride, 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-, 2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride, N-isopropylhydroxylamine, Benzoxazalone, 6-sulfochloride
| Molecular Formula | C7H4ClNO4S |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.95496 |
| Heavy Atoms | 14 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 27685-90-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2 |
| InChIKey | IBHCNMJSVDRBSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 (CAS 27685-90-1), with molecular formula C7H4ClNO4S and molecular weight 232.95 g/mol. IUPAC: 2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride.
Chemical Property Profile of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯
Property Insights of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯. Following Lipinski's Rule of Five, 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 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 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯?
The CAS number of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 is 27685-90-1.
What is the molecular formula of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯?
The molecular formula of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 is C7H4ClNO4S.
What is the molecular weight of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯?
The molecular weight of 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 is 232.95 g/mol.
Where can I buy 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯?
You can request a quote for 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-2-氧代-6-苯并噁唑磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.