3-异氰酸苯磺酰氟
TL;DR: 3-异氰酸苯磺酰氟 (CAS 402-36-8) is a chemical compound with molecular formula C7H4FNO3S and molecular weight 200.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-异氰酸苯磺酰氟
3-isocyanatobenzenesulfonyl fluoride
Also Known As: Isocyanic acid,, 3-isocyanatobenzenesulfonyl fluoride, 3-Isocyanatobenzenesulphonyl fluoride, starbld0036944, m-Fluorosulfonylphenyl isocyanate
| Molecular Formula | C7H4FNO3S |
|---|---|
| Molecular Weight | 200.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.9896 |
| Heavy Atoms | 13 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 402-36-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)N=C=O |
| InChIKey | MXNBVYUXLFKJKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-异氰酸苯磺酰氟 (CAS 402-36-8), with molecular formula C7H4FNO3S and molecular weight 200.99 g/mol. IUPAC: 3-isocyanatobenzenesulfonyl fluoride.
Chemical Property Profile of 3-异氰酸苯磺酰氟
Property Insights of 3-异氰酸苯磺酰氟
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-异氰酸苯磺酰氟. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-异氰酸苯磺酰氟. Following Lipinski's Rule of Five, 3-异氰酸苯磺酰氟 has 0 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-异氰酸苯磺酰氟?
The CAS number of 3-异氰酸苯磺酰氟 is 402-36-8.
What is the molecular formula of 3-异氰酸苯磺酰氟?
The molecular formula of 3-异氰酸苯磺酰氟 is C7H4FNO3S.
What is the molecular weight of 3-异氰酸苯磺酰氟?
The molecular weight of 3-异氰酸苯磺酰氟 is 200.99 g/mol.
Where can I buy 3-异氰酸苯磺酰氟?
You can request a quote for 3-异氰酸苯磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-异氰酸苯磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 3-异氰酸苯磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.