4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide
TL;DR: 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide (CAS 88267-36-1) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Also Known As: 4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide, 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 88267-36-1 |
|---|---|
| SMILES | CC1(CCSC2=CC=CC=C2C1=O)C(=O)N |
| InChIKey | CQLDDVPYIHRJQY-UHFFFAOYSA-N |
Product Overview
4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide (CAS 88267-36-1), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide.
Chemical Property Profile of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide
Property Insights of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide. Following Lipinski's Rule of Five, 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide 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-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide?
The CAS number of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide is 88267-36-1.
What is the molecular formula of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide?
The molecular formula of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide is C12H13NO2S.
What is the molecular weight of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide?
The molecular weight of 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide is 235.07 g/mol.
Where can I buy 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide?
You can request a quote for 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.