Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
TL;DR: Methyl 1,3-benzothiazol-2-yl(methyl)carbamate (CAS 58663-62-0) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate
Also Known As: Methyl 1,3-benzothiazol-2-yl(methyl)carbamate, 4-chloro-N-(4-fluorophenyl)benzamide, BAS 00462407, methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate, Benzothiazol-2-yl-methyl-carbamic acid methyl ester
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 58663-62-0 |
|---|---|
| SMILES | CN(C1=NC2=CC=CC=C2S1)C(=O)OC |
| InChIKey | MYAANEHSZDNBBV-UHFFFAOYSA-N |
Product Overview
Methyl 1,3-benzothiazol-2-yl(methyl)carbamate (CAS 58663-62-0), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate.
Chemical Property Profile of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
Property Insights of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,3-benzothiazol-2-yl(methyl)carbamate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,3-benzothiazol-2-yl(methyl)carbamate. Following Lipinski's Rule of Five, Methyl 1,3-benzothiazol-2-yl(methyl)carbamate has 0 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 Methyl 1,3-benzothiazol-2-yl(methyl)carbamate?
The CAS number of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate is 58663-62-0.
What is the molecular formula of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate?
The molecular formula of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate is C10H10N2O2S.
What is the molecular weight of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate?
The molecular weight of Methyl 1,3-benzothiazol-2-yl(methyl)carbamate is 222.05 g/mol.
Where can I buy Methyl 1,3-benzothiazol-2-yl(methyl)carbamate?
You can request a quote for Methyl 1,3-benzothiazol-2-yl(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,3-benzothiazol-2-yl(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3-benzothiazol-2-yl(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.