Butyl 1,3-benzothiazol-2-ylcarbamate
TL;DR: Butyl 1,3-benzothiazol-2-ylcarbamate (CAS 28972-45-4) 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.
butyl N-(1,3-benzothiazol-2-yl)carbamate
Also Known As: butyl 1,3-benzothiazol-2-ylcarbamate, ChemDiv1_007996, butyl N-(1,3-benzothiazol-2-yl)carbamate, N-benzothiazol-2-ylbutoxycarboxamide, AE-641/15339396
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 3.6449 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 476.92987 |
Chemical Identifiers
| CAS Number | 28972-45-4 |
|---|---|
| SMILES | CCCCOC(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
Butyl 1,3-benzothiazol-2-ylcarbamate (CAS 28972-45-4), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: butyl N-(1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of Butyl 1,3-benzothiazol-2-ylcarbamate
Property Insights of Butyl 1,3-benzothiazol-2-ylcarbamate
The XLogP value of 3.6449 indicates that Butyl 1,3-benzothiazol-2-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, Butyl 1,3-benzothiazol-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 1,3-benzothiazol-2-ylcarbamate 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 Butyl 1,3-benzothiazol-2-ylcarbamate?
The CAS number of Butyl 1,3-benzothiazol-2-ylcarbamate is 28972-45-4.
What is the molecular formula of Butyl 1,3-benzothiazol-2-ylcarbamate?
The molecular formula of Butyl 1,3-benzothiazol-2-ylcarbamate is C12H14N2O2S.
What is the molecular weight of Butyl 1,3-benzothiazol-2-ylcarbamate?
The molecular weight of Butyl 1,3-benzothiazol-2-ylcarbamate is 250.08 g/mol.
Where can I buy Butyl 1,3-benzothiazol-2-ylcarbamate?
You can request a quote for Butyl 1,3-benzothiazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 1,3-benzothiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 1,3-benzothiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.