Estradiol Impurity 16
TL;DR: Estradiol Impurity 16 (CAS 791-69-5) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Estradiol Impurity 16, delta9,11-Estradiol, Delta-9-17-alfa-Estradiol, Estra-1,3,5(10),9(11)-tetraene-3,17beta-diol, (17
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 791-69-5 |
|---|---|
| SMILES | CC12CC=C3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
| InChIKey | FABGTKBXHAEVKL-UHFFFAOYSA-N |
Product Overview
Estradiol Impurity 16 (CAS 791-69-5), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estradiol Impurity 16
Property Insights of Estradiol Impurity 16
The XLogP value of 3.3 indicates that Estradiol Impurity 16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Estradiol Impurity 16 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol Impurity 16 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 Estradiol Impurity 16?
The CAS number of Estradiol Impurity 16 is 791-69-5.
What is the molecular formula of Estradiol Impurity 16?
The molecular formula of Estradiol Impurity 16 is C18H22O2.
What is the molecular weight of Estradiol Impurity 16?
The molecular weight of Estradiol Impurity 16 is 270.16 g/mol.
Where can I buy Estradiol Impurity 16?
You can request a quote for Estradiol Impurity 16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol Impurity 16?
Yes, KEHONG BIO provides custom synthesis services for Estradiol Impurity 16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.