3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione
TL;DR: 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione (CAS 37162-65-5) is a chemical compound with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 3-(chloromethyl)-2H-1, 3-(chloromethyl)-4H-1, 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione, 3-(Chloromethyl)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide, 3-(chloromethyl)-2H-1lambda6,2,4-benzothiadiazine-1,1-dione
| Molecular Formula | C8H7ClN2O2S |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 1.4381 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.99167 |
| Heavy Atoms | 14 |
| Complexity | 495.8177 |
Chemical Identifiers
| CAS Number | 37162-65-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCl |
Product Overview
3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione (CAS 37162-65-5), with molecular formula C8H7ClN2O2S and molecular weight 229.99 g/mol. IUPAC: 3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione
Property Insights of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione
The XLogP value of 1.4381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione. With a topological polar surface area (TPSA) of 58.53 Ų, 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione has 1 hydrogen bond donor(s) and 3 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 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione?
The CAS number of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione is 37162-65-5.
What is the molecular formula of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione?
The molecular formula of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione is C8H7ClN2O2S.
What is the molecular weight of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione?
The molecular weight of 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione is 229.99 g/mol.
Where can I buy 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione?
You can request a quote for 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.