Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate
TL;DR: Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate (CAS 34613-39-3) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-hexanoyl-2,1,4-benzothiadiazin-3-yl)carbamate
Also Known As: 4-Cyanophthalimide, Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate, methyl N-(1-hexanoyl-2,1,4-benzothiadiazin-3-yl)carbamate, CARBAMIC ACID, (1-(1-OXOHEXYL)-1H-2,1,4-BENZOTHIADIAZIN-3-YL)-, METHYL ESTER, RefChem:157106
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 34613-39-3 |
|---|---|
| SMILES | CCCCCC(=O)N1C2=CC=CC=C2N=C(S1)NC(=O)OC |
| InChIKey | YZQYZBJUUATMOI-UHFFFAOYSA-N |
Product Overview
Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate (CAS 34613-39-3), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: methyl N-(1-hexanoyl-2,1,4-benzothiadiazin-3-yl)carbamate.
Chemical Property Profile of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate
Property Insights of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate
The XLogP value of 3.1 indicates that Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate. Following Lipinski's Rule of Five, Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate has 1 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 Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate?
The CAS number of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate is 34613-39-3.
What is the molecular formula of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate?
The molecular formula of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate is C15H19N3O3S.
What is the molecular weight of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate?
The molecular weight of Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate is 321.11 g/mol.
Where can I buy Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate?
You can request a quote for Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)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-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1-hexanoyl-1H-2,1,4-benzothiadiazin-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.