1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester
TL;DR: 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester (CAS 55255-39-5) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9,10-dicarboxylate
Also Known As: 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester, 9,10-Phenanthrenedicarboxylic acid, 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydro-, dimethyl ester, 9,10-dimethyl 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9,10-dicarboxylate, Dimethyl 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydro-9,10-phenanthrenedicarboxylate, Dimethyl 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydro-9,10-phenanthrenedicarboxylate #
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 55255-39-5 |
|---|---|
| SMILES | COC(=O)C1C2CCCCC2=C3CCCCC3C1C(=O)OC |
| InChIKey | LLNXADBLTXNPSW-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester (CAS 55255-39-5), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: dimethyl 1,2,3,4,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-9,10-dicarboxylate.
Chemical Property Profile of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester
Property Insights of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester
The XLogP value of 3.1 indicates that 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester has 0 hydrogen bond donor(s) and 4 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 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester?
The CAS number of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester is 55255-39-5.
What is the molecular formula of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester?
The molecular formula of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester is C18H26O4.
What is the molecular weight of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester?
The molecular weight of 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester is 306.18 g/mol.
Where can I buy 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester?
You can request a quote for 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthrene-9,10-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.