对异氰酸酯苯磺酰氯
TL;DR: 对异氰酸酯苯磺酰氯 (CAS 6752-38-1) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对异氰酸酯苯磺酰氯
4-isocyanatobenzenesulfonyl chloride
Also Known As: 4-(Chlorosulfonyl)phenyl isocyanate, 4-Isocyanatobenzenesulfonyl chloride, 4-isocyanatobenzene-1-sulfonyl chloride, p-Isocyanatobenzenesulphonyl chloride, 4-chlorosulfonylphenylisocyanate
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 6752-38-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=O)S(=O)(=O)Cl |
| InChIKey | PUXGCFRABSKGED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对异氰酸酯苯磺酰氯 (CAS 6752-38-1), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: 4-isocyanatobenzenesulfonyl chloride.
Chemical Property Profile of 对异氰酸酯苯磺酰氯
Property Insights of 对异氰酸酯苯磺酰氯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对异氰酸酯苯磺酰氯. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 对异氰酸酯苯磺酰氯. Following Lipinski's Rule of Five, 对异氰酸酯苯磺酰氯 has 0 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 对异氰酸酯苯磺酰氯?
The CAS number of 对异氰酸酯苯磺酰氯 is 6752-38-1.
What is the molecular formula of 对异氰酸酯苯磺酰氯?
The molecular formula of 对异氰酸酯苯磺酰氯 is C7H4ClNO3S.
What is the molecular weight of 对异氰酸酯苯磺酰氯?
The molecular weight of 对异氰酸酯苯磺酰氯 is 216.96 g/mol.
Where can I buy 对异氰酸酯苯磺酰氯?
You can request a quote for 对异氰酸酯苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对异氰酸酯苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 对异氰酸酯苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.