Demetric acid
TL;DR: Demetric acid (CAS 11012-90-1) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: DEMETRIC ACID, Estren, BOLANDIOL, 19-Nor-Androstenediol, 13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 11012-90-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=CC(CCC34)O |
| InChIKey | CMXKUJNZWYTFJN-UHFFFAOYSA-N |
Product Overview
Demetric acid (CAS 11012-90-1), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: 13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Demetric acid
Property Insights of Demetric acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demetric acid. With a topological polar surface area (TPSA) of 40.5 Ų, Demetric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demetric acid has 2 hydrogen bond donor(s) and 2 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 Demetric acid?
The CAS number of Demetric acid is 11012-90-1.
What is the molecular formula of Demetric acid?
The molecular formula of Demetric acid is C18H28O2.
What is the molecular weight of Demetric acid?
The molecular weight of Demetric acid is 276.21 g/mol.
Where can I buy Demetric acid?
You can request a quote for Demetric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demetric acid?
Yes, KEHONG BIO provides custom synthesis services for Demetric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.