Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate
TL;DR: Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS 890092-79-2) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-amino-1,3-benzothiazole-6-carboxylate
Also Known As: Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate, 2-methylpropyl 2-amino-1,3-benzothiazole-6-carboxylate, Isobutyl 2-aminobenzo[d]thiazole-6-carboxylate, 2-Methylpropyl 2-amino-6-benzothiazolecarboxylate, 2-methylpropyl 2-aminobenzothiazole-6-carboxylate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.6913 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 548.42926 |
Chemical Identifiers
| CAS Number | 890092-79-2 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC2=C(C=C1)N=C(S2)N |
Product Overview
Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate (CAS 890092-79-2), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-methylpropyl 2-amino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate
Property Insights of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.6913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Isobutyl 2-amino-1,3-benzothiazole-6-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-amino-1,3-benzothiazole-6-carboxylate?
The CAS number of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate is 890092-79-2.
What is the molecular formula of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate?
The molecular formula of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate is C12H14N2O2S.
What is the molecular weight of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate?
The molecular weight of Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate is 250.08 g/mol.
Where can I buy Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate?
You can request a quote for Isobutyl 2-amino-1,3-benzothiazole-6-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-amino-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-amino-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.