Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate
TL;DR: Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate (CAS 134949-38-5) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate
Also Known As: propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate, isopropyl 2-amino-1,3-benzothiazole-6-carboxylate, Isopropyl 2-aminobenzo[d]thiazole-6-carboxylate, Isopropyl2-aminobenzo[d]thiazole-6-carboxylate, BB 0244782
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.4437 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 533.7641 |
Chemical Identifiers
| CAS Number | 134949-38-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)N |
Product Overview
Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate (CAS 134949-38-5), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate
Property Insights of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.4437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate?
The CAS number of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate is 134949-38-5.
What is the molecular formula of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate?
The molecular formula of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate is C11H12N2O2S.
What is the molecular weight of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate?
The molecular weight of Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate is 236.06 g/mol.
Where can I buy Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate?
You can request a quote for Propan-2-yl 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 Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-amino-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.