5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide
TL;DR: 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide (CAS 51287-57-1) is a chemical compound with molecular formula C18H14ClN3O2S and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
Also Known As: Denotivir, Wratizolin, Vratizolin, ITCL, Polvir
| Molecular Formula | C18H14ClN3O2S |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.04953 |
| Heavy Atoms | 25 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 51287-57-1 |
|---|---|
| SMILES | CC1=NSC(=C1C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3 |
| InChIKey | ZPBLNADJHWHOEP-UHFFFAOYSA-N |
Product Overview
5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide (CAS 51287-57-1), with molecular formula C18H14ClN3O2S and molecular weight 371.05 g/mol. IUPAC: 5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamide.
Chemical Property Profile of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide
Property Insights of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide
The XLogP value of 4.6 indicates that 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide. Following Lipinski's Rule of Five, 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide has 2 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 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide?
The CAS number of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide is 51287-57-1.
What is the molecular formula of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide?
The molecular formula of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide is C18H14ClN3O2S.
What is the molecular weight of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide?
The molecular weight of 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide is 371.05 g/mol.
Where can I buy 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide?
You can request a quote for 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.