![2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide structure](/static/products/3144/31444-62-9.webp)
2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide
TL;DR: 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide (CAS 31444-62-9) is a chemical compound with molecular formula C14H11NO2S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11-dimethyl-2-oxo-7-thiatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaene-3-carboxamide
Also Known As: Ethyl 2,3-dichloro benzoate, 2,6-dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide, 2,6-dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxami, 2,6-Dimethyl-5-oxo-5H-indeno[7,1-bc]thiopyran-4-carboxamide
| Molecular Formula | C14H11NO2S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.05106 |
| Heavy Atoms | 18 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 31444-62-9 |
|---|---|
| SMILES | CC1=C2C3=C(C=C1)SC(=CC3=C(C2=O)C(=O)N)C |
| InChIKey | UNBLQSHWJKHOQG-UHFFFAOYSA-N |
Product Overview
2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide (CAS 31444-62-9), with molecular formula C14H11NO2S and molecular weight 257.05 g/mol. IUPAC: 6,11-dimethyl-2-oxo-7-thiatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaene-3-carboxamide.
Chemical Property Profile of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide
Property Insights of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide. Following Lipinski's Rule of Five, 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-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 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide?
The CAS number of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide is 31444-62-9.
What is the molecular formula of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide?
The molecular formula of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide is C14H11NO2S.
What is the molecular weight of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide?
The molecular weight of 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide is 257.05 g/mol.
Where can I buy 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide?
You can request a quote for 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-5-oxo-5h-cyclopenta[de]thiochromene-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.