8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one
TL;DR: 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one (CAS 18850-35-6) is a chemical compound with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2,3,4,6-tetrahydro-1,6-benzothiazocin-5-one
Also Known As: 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one, 8-chloro-2,3,4,6-tetrahydro-1,6-benzothiazocin-5-one, 8-CHLORO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZOCIN-5(6H)-ONE, 2H-1,6-Benzothiazocin-5(6H)-one, 8-chloro-3,4-dihydro-, 8-chloro-3,4,5,6-tetrahydro-2H-1,6-benzothiazocin-5-one
| Molecular Formula | C10H10ClNOS |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.01717 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 18850-35-6 |
|---|---|
| SMILES | C1CC(=O)NC2=C(C=CC(=C2)Cl)SC1 |
| InChIKey | WTVBWSODDCUAAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one (CAS 18850-35-6), with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol. IUPAC: 8-chloro-2,3,4,6-tetrahydro-1,6-benzothiazocin-5-one.
Chemical Property Profile of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one
Property Insights of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one has 1 hydrogen bond donor(s) and 2 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 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one?
The CAS number of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one is 18850-35-6.
What is the molecular formula of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one?
The molecular formula of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one is C10H10ClNOS.
What is the molecular weight of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one?
The molecular weight of 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one is 227.02 g/mol.
Where can I buy 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one?
You can request a quote for 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-3,4-dihydro-2H-1,6-benzothiazocin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.