Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate
TL;DR: Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate (CAS 69544-08-7) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate
Also Known As: SDCCGMLS-0024743.P002, methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate, Methyl (4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)carbamate, methoxy-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carboxamide, methyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.2002 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 325.0812 |
Chemical Identifiers
| CAS Number | 69544-08-7 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(S1)CCCC2 |
Product Overview
Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate (CAS 69544-08-7), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: methyl N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamate.
Chemical Property Profile of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate
Property Insights of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate
The XLogP value of 2.2002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate. With a topological polar surface area (TPSA) of 51.22 Ų, Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,5,6,7-tetrahydro-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 Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate?
The CAS number of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate is 69544-08-7.
What is the molecular formula of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate?
The molecular formula of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate is C9H12N2O2S.
What is the molecular weight of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate?
The molecular weight of Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate is 212.06 g/mol.
Where can I buy Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate?
You can request a quote for Methyl 4,5,6,7-tetrahydro-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 Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.