Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate
TL;DR: Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate (CAS 618079-27-9) is a chemical compound with molecular formula C11H15ClN2O3S and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[(2-chloroacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: F1423-2252, isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate, 2-METHYLPROPYL 2-(2-CHLOROACETAMIDO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, 2-methylpropyl 2-[(2-chloroacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, 2-methylpropyl 2-[(chloroacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C11H15ClN2O3S |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.44162 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0492 |
| Heavy Atoms | 18 |
| Complexity | 445.49677 |
Chemical Identifiers
| CAS Number | 618079-27-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)CCl)C(=O)OCC(C)C |
Product Overview
Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate (CAS 618079-27-9), with molecular formula C11H15ClN2O3S and molecular weight 290.05 g/mol. IUPAC: 2-methylpropyl 2-[(2-chloroacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate
Property Insights of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate
The XLogP value of 2.44162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate 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 Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate?
The CAS number of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate is 618079-27-9.
What is the molecular formula of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate?
The molecular formula of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate is C11H15ClN2O3S.
What is the molecular weight of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate?
The molecular weight of Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate is 290.05 g/mol.
Where can I buy Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate?
You can request a quote for Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-(2-chloroacetamido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.