![5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide structure](/static/products/3144/3144-30-7.webp)
5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide
TL;DR: 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide (CAS 3144-30-7) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-11-methyl-7-thiatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxamide
Also Known As: 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide, 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thio, 3-Acetamid-3-cyano-6'-methylspiro
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 3144-30-7 |
|---|---|
| SMILES | CC1=C2C(C(C3C2=C(C=C1)SCC3)C(=O)N)O |
| InChIKey | LQELHIGYWPZEPR-UHFFFAOYSA-N |
Product Overview
5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide (CAS 3144-30-7), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 2-hydroxy-11-methyl-7-thiatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxamide.
Chemical Property Profile of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide
Property Insights of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide. Following Lipinski's Rule of Five, 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide has 2 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 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide?
The CAS number of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide is 3144-30-7.
What is the molecular formula of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide?
The molecular formula of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide is C13H15NO2S.
What is the molecular weight of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide?
The molecular weight of 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide is 249.08 g/mol.
Where can I buy 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide?
You can request a quote for 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-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 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-6-methyl-3,3a,4,5-tetrahydro-2h-cyclopenta[de]thiochromene-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.