(6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester
TL;DR: (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester (CAS 443324-22-9) is a chemical compound with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
Also Known As: BAS 04806936, (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester, butyl (6-(methylsulfonyl)benzo[d]thiazol-2-yl)carbamate, butoxy-N-[6-(methylsulfonyl)benzothiazol-2-yl]carboxamide, butyl N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
| Molecular Formula | C13H16N2O4S2 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.0484 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.05515 |
| Heavy Atoms | 21 |
| Complexity | 752.61707 |
Chemical Identifiers
| CAS Number | 443324-22-9 |
|---|---|
| SMILES | CCCCOC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C |
Product Overview
(6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester (CAS 443324-22-9), with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol. IUPAC: butyl N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester
Property Insights of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester
The XLogP value of 3.0484 indicates that (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester. Following Lipinski's Rule of Five, (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester has 1 hydrogen bond donor(s) and 6 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 (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester?
The CAS number of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester is 443324-22-9.
What is the molecular formula of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester?
The molecular formula of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester is C13H16N2O4S2.
What is the molecular weight of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester?
The molecular weight of (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester is 328.06 g/mol.
Where can I buy (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester?
You can request a quote for (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-Methanesulfonyl-benzothiazol-2-yl)-carbamic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.