2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide
TL;DR: 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide (CAS 130598-00-4) is a chemical compound with molecular formula C17H20O6S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10,14-dihydroxy-7-methyl-5,5-dioxo-5λ6-thiatetracyclo[7.5.0.02,6.011,13]tetradeca-1(14),6,9-triene-12-carboxylate
Also Known As: 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide, Ethyl 6,8-dihydroxy-4-methyl-3,3-dioxo-1,2,3,5,6a,7,7a,8b-octahydro-3lambda~6~-cyclopropa[6,7]naphtho[2,1-b]thiophene-7-carboxylate, BRN 4766632, RefChem:268615
| Molecular Formula | C17H20O6S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.1619 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.09805 |
| Heavy Atoms | 24 |
| Complexity | 844.3065 |
Chemical Identifiers
| CAS Number | 130598-00-4 |
|---|---|
| SMILES | CCOC(=O)C1C2C1C(=C3C4CCS(=O)(=O)C4=C(CC3=C2O)C)O |
Product Overview
2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide (CAS 130598-00-4), with molecular formula C17H20O6S and molecular weight 352.10 g/mol. IUPAC: ethyl 10,14-dihydroxy-7-methyl-5,5-dioxo-5λ6-thiatetracyclo[7.5.0.02,6.011,13]tetradeca-1(14),6,9-triene-12-carboxylate.
Chemical Property Profile of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide
Property Insights of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide
The XLogP value of 2.1619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide. Following Lipinski's Rule of Five, 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide has 2 hydrogen bond donor(s) and 6 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 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide?
The CAS number of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide is 130598-00-4.
What is the molecular formula of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide?
The molecular formula of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide is C17H20O6S.
What is the molecular weight of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide?
The molecular weight of 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide is 352.10 g/mol.
Where can I buy 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide?
You can request a quote for 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Cyclopropa(6,7)naphtho(2,1-b)thiophene-7-carboxylic acid, 1,5,6a,7,7a,8b-hexahydro-6,8-dihydroxy-4-methyl-, ethyl ester, 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.