1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester
TL;DR: 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester (CAS 33082-92-7) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1H-2,1,4-benzothiadiazin-3-yl)carbamate
Also Known As: Methylbenzothiadiazine carbamate, PP010, 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester, methyl N-(1H-2,1,4-benzothiadiazin-3-yl)carbamate, Methyl 1H-2,1,4-benzothiadiazin-3-ylcarbamate
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 33082-92-7 |
|---|---|
| SMILES | COC(=O)NC1=NC2=CC=CC=C2NS1 |
| InChIKey | ODBAYGHLHYQWOX-UHFFFAOYSA-N |
Product Overview
1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester (CAS 33082-92-7), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: methyl N-(1H-2,1,4-benzothiadiazin-3-yl)carbamate.
Chemical Property Profile of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester
Property Insights of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester. Following Lipinski's Rule of Five, 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester has 2 hydrogen bond donor(s) and 5 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 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester?
The CAS number of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester is 33082-92-7.
What is the molecular formula of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester?
The molecular formula of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester is C9H9N3O2S.
What is the molecular weight of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester?
The molecular weight of 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester is 223.04 g/mol.
Where can I buy 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester?
You can request a quote for 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,1,4-Benzothiadiazine-3-carbamic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.