Bicyclo-octane carboxylic acid deriv
TL;DR: Bicyclo-octane carboxylic acid deriv (CAS 81776-98-9) is a chemical compound with molecular formula C22H32O6S and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(ethylsulfanylmethyl)-6,9-dihydroxy-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Also Known As: BICYCLO-OCTANE CARBOXYLIC ACID DERIV, 7-[(Ethylsulfanyl)methyl]-2,13-dihydroxy-1,1-dimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione
| Molecular Formula | C22H32O6S |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.19196 |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 81776-98-9 |
|---|---|
| SMILES | CCSCC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O |
| InChIKey | PEOHBKFOZXCXCK-UHFFFAOYSA-N |
Product Overview
Bicyclo-octane carboxylic acid deriv (CAS 81776-98-9), with molecular formula C22H32O6S and molecular weight 424.19 g/mol. IUPAC: 17-(ethylsulfanylmethyl)-6,9-dihydroxy-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione.
Chemical Property Profile of Bicyclo-octane carboxylic acid deriv
Property Insights of Bicyclo-octane carboxylic acid deriv
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo-octane carboxylic acid deriv. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo-octane carboxylic acid deriv. Following Lipinski's Rule of Five, Bicyclo-octane carboxylic acid deriv has 2 hydrogen bond donor(s) and 7 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 Bicyclo-octane carboxylic acid deriv?
The CAS number of Bicyclo-octane carboxylic acid deriv is 81776-98-9.
What is the molecular formula of Bicyclo-octane carboxylic acid deriv?
The molecular formula of Bicyclo-octane carboxylic acid deriv is C22H32O6S.
What is the molecular weight of Bicyclo-octane carboxylic acid deriv?
The molecular weight of Bicyclo-octane carboxylic acid deriv is 424.19 g/mol.
Where can I buy Bicyclo-octane carboxylic acid deriv?
You can request a quote for Bicyclo-octane carboxylic acid deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo-octane carboxylic acid deriv?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo-octane carboxylic acid deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.