7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine
TL;DR: 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine (CAS 338778-00-0) is a chemical compound with molecular formula C14H12ClNO2S2 and molecular weight 325.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-7-chloro-2,3-dihydro-1,4-benzothiazine
Also Known As: 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine, 4-(benzenesulfonyl)-7-chloro-2,3-dihydro-1,4-benzothiazine, 6B-087, 4-(benzenesulfonyl)-7-chloro-3,4-dihydro-2H-1,4-benzothiazine, 10-(benzenesulfonyl)-4-chloro-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene
| Molecular Formula | C14H12ClNO2S2 |
|---|---|
| Molecular Weight | 325.00 g/mol |
| LogP | 3.641 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.9998 |
| Heavy Atoms | 20 |
| Complexity | 732.09406 |
Chemical Identifiers
| CAS Number | 338778-00-0 |
|---|---|
| SMILES | C1CSC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)Cl |
Product Overview
7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine (CAS 338778-00-0), with molecular formula C14H12ClNO2S2 and molecular weight 325.00 g/mol. IUPAC: 4-(benzenesulfonyl)-7-chloro-2,3-dihydro-1,4-benzothiazine.
Chemical Property Profile of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine
Property Insights of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine
The XLogP value of 3.641 indicates that 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine has 0 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 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine?
The CAS number of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine is 338778-00-0.
What is the molecular formula of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine?
The molecular formula of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine is C14H12ClNO2S2.
What is the molecular weight of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine?
The molecular weight of 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine is 325.00 g/mol.
Where can I buy 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine?
You can request a quote for 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.