6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol
TL;DR: 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol (CAS 688760-73-8) is a chemical compound with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(azepan-1-ylsulfonyl)-4H-1,4-benzothiazin-3-one
Also Known As: AB01299266-01, 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol, 6-(azepan-1-ylsulfonyl)-4H-1,4-benzothiazin-3-one, 6-(azepan-1-ylsulfonyl)-2H-benzo[b][1,4]thiazin-3(4H)-one, 6-(AZEPANE-1-SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-3-ONE
| Molecular Formula | C14H18N2O3S2 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.2955 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.0759 |
| Heavy Atoms | 21 |
| Complexity | 650.183 |
Chemical Identifiers
| CAS Number | 688760-73-8 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3 |
Product Overview
6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol (CAS 688760-73-8), with molecular formula C14H18N2O3S2 and molecular weight 326.08 g/mol. IUPAC: 6-(azepan-1-ylsulfonyl)-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol
Property Insights of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol
The XLogP value of 2.2955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol. Following Lipinski's Rule of Five, 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol 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 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol?
The CAS number of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol is 688760-73-8.
What is the molecular formula of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol?
The molecular formula of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol is C14H18N2O3S2.
What is the molecular weight of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol?
The molecular weight of 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol is 326.08 g/mol.
Where can I buy 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol?
You can request a quote for 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(azepan-1-ylsulfonyl)-2H-1,4-benzothiazin-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.