![4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione structure](/static/products/885/885458-95-7.png)
4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione
TL;DR: 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione (CAS 885458-95-7) is a chemical compound with molecular formula C8H14ClN3O2S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-4,6,7,8,9,10-hexahydro-3H-[1,2,4,6]thiatriazino[4,3-a]azepine 2,2-dioxide
Also Known As: 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione, 4-Chloromethyl-3,4,6,7,8,9-hexahydro-5H-2-thia-1,3,4a-triaza-benzocycloheptene 2,2-dioxide, 4-(chloromethyl)-3,4,7,8,9,10-hexahydro-6H-[1,2,4,6]thiatriazino[4,3-a]azepine 2,2-dioxide, 4-(chloromethyl)-4,6,7,8,9,10-hexahydro-3H-[1,2,4,6]thiatriazino[4,3-a]azepine 2,2-dioxide, 4-(chloromethyl)-3,4,7,8,9,10-hexahydro-6H-[1,2,4,6]thiatriazino[4,3-a]azepine2,2-dioxide
| Molecular Formula | C8H14ClN3O2S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 0.6738 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.04953 |
| Heavy Atoms | 15 |
| Complexity | 368.08307 |
Chemical Identifiers
| CAS Number | 885458-95-7 |
|---|---|
| SMILES | C1CCC2=NS(=O)(=O)NC(N2CC1)CCl |
Product Overview
4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione (CAS 885458-95-7), with molecular formula C8H14ClN3O2S and molecular weight 251.05 g/mol. IUPAC: 4-(chloromethyl)-4,6,7,8,9,10-hexahydro-3H-[1,2,4,6]thiatriazino[4,3-a]azepine 2,2-dioxide.
Chemical Property Profile of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione
Property Insights of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione
The XLogP value of 0.6738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione. Following Lipinski's Rule of Five, 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-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 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione?
The CAS number of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione is 885458-95-7.
What is the molecular formula of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione?
The molecular formula of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione is C8H14ClN3O2S.
What is the molecular weight of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione?
The molecular weight of 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione is 251.05 g/mol.
Where can I buy 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione?
You can request a quote for 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(chloromethyl)-3H,4H,6H,7H,8H,9H,10H-2lambda6-[1,2,4,6]thiatriazino[4,3-a]azepine-2,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.