Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
TL;DR: Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate (CAS 49779-27-3) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
Also Known As: phenyl 4-cyano-3-methyl-5-isothiazolylcarbamate, AO-638/11817079, phenyl (4-cyano-3-methylisothiazol-5-yl)carbamate, Phenyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate, N-(4-cyano-3-methylisothiazol-5-yl)phenoxycarboxamide
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 2.9341 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 601.5302 |
Chemical Identifiers
| CAS Number | 49779-27-3 |
|---|---|
| SMILES | CC1=NSC(=C1C#N)NC(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate (CAS 49779-27-3), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: phenyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate.
Chemical Property Profile of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
Property Insights of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
The XLogP value of 2.9341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate. Following Lipinski's Rule of Five, Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate 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 Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate?
The CAS number of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate is 49779-27-3.
What is the molecular formula of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate?
The molecular formula of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate is C12H9N3O2S.
What is the molecular weight of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate?
The molecular weight of Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate is 259.04 g/mol.
Where can I buy Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate?
You can request a quote for Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.