异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯
TL;DR: 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 (CAS 28953-18-6) 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.
异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯
propan-2-yl N-(1,3-benzothiazol-2-yl)carbamate
Also Known As: propan-2-yl N-(1,3-benzothiazol-2-yl)carbamate, propan-2-yl 1,3-benzothiazol-2-ylcarbamate
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 28953-18-6 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | PCMASJRBVCGCNL-UHFFFAOYSA-N |
Product Overview
异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 (CAS 28953-18-6), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: propan-2-yl N-(1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯
Property Insights of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯
The XLogP value of 3.1 indicates that 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯. Following Lipinski's Rule of Five, 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 has 1 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 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯?
The CAS number of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 is 28953-18-6.
What is the molecular formula of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯?
The molecular formula of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 is C11H12N2O2S.
What is the molecular weight of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯?
The molecular weight of 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 is 236.06 g/mol.
Where can I buy 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯?
You can request a quote for 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基N-(1,3-苯并噻唑-2-基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.