2-Methyl-1,5-benzothiazepin-4(5H)-one
TL;DR: 2-Methyl-1,5-benzothiazepin-4(5H)-one (CAS 63870-02-0) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5H-1,5-benzothiazepin-4-one
Also Known As: 2-Methyl-1,5-benzothiazepin-4(5H)-one, 1, 2-methyl-, 1,5-BENZOTHIAZEPIN-4(5H)-ONE, 2-METHYL-, 2-methyl-5H-1,5-benzothiazepin-4-one, 2-methyl-1,5-benzothiazepin-4 -one
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 63870-02-0 |
|---|---|
| SMILES | CC1=CC(=O)NC2=CC=CC=C2S1 |
| InChIKey | XMCREDZXYDRQBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,5-benzothiazepin-4(5H)-one (CAS 63870-02-0), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 2-methyl-5H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2-Methyl-1,5-benzothiazepin-4(5H)-one
Property Insights of 2-Methyl-1,5-benzothiazepin-4(5H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,5-benzothiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Methyl-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,5-benzothiazepin-4(5H)-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 2-Methyl-1,5-benzothiazepin-4(5H)-one?
The CAS number of 2-Methyl-1,5-benzothiazepin-4(5H)-one is 63870-02-0.
What is the molecular formula of 2-Methyl-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 2-Methyl-1,5-benzothiazepin-4(5H)-one is C10H9NOS.
What is the molecular weight of 2-Methyl-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 2-Methyl-1,5-benzothiazepin-4(5H)-one is 191.04 g/mol.
Where can I buy 2-Methyl-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 2-Methyl-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.