1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
TL;DR: 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- (CAS 35756-30-0) is a chemical compound with molecular formula C12H13NOS2 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide
Also Known As: 5,6-dihydro-2-methyl-1,4-dithiine-N-phenyl-3-carboxamide, 3-Methyl-N-phenyl-5,6-dihydro-1,4-dithiine-2-carboxamide, 6-methyl-N-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide, 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 3-Methyl-N-phenyl-5,6-dihydro-1,4-dithiine-2-carboxamide #
| Molecular Formula | C12H13NOS2 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.04385 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 35756-30-0 |
|---|---|
| SMILES | CC1=C(SCCS1)C(=O)NC2=CC=CC=C2 |
| InChIKey | KSFUYSSXXZXGIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- (CAS 35756-30-0), with molecular formula C12H13NOS2 and molecular weight 251.04 g/mol. IUPAC: 6-methyl-N-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide.
Chemical Property Profile of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
Property Insights of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-. Following Lipinski's Rule of Five, 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- 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 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-?
The CAS number of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- is 35756-30-0.
What is the molecular formula of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-?
The molecular formula of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- is C12H13NOS2.
What is the molecular weight of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-?
The molecular weight of 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- is 251.04 g/mol.
Where can I buy 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-?
You can request a quote for 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.