17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate
TL;DR: 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate (CAS 1247-71-8) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Colpormon, Colpogynon, hydroxyestrone diacetate, Estriol Impurity 19, Estradiol Impurity 21
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 1247-71-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)OC(=O)C |
| InChIKey | QZQSENRWYLQIPC-JPVHLGFFSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate (CAS 1247-71-8), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: [(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate
Property Insights of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate
The XLogP value of 3.3 indicates that 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate. Following Lipinski's Rule of Five, 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate has 0 hydrogen bond donor(s) and 5 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 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate?
The CAS number of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate is 1247-71-8.
What is the molecular formula of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate?
The molecular formula of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate is C22H26O5.
What is the molecular weight of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate?
The molecular weight of 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate is 370.18 g/mol.
Where can I buy 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate?
You can request a quote for 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Oxo-1,3,5(10)-triene-3,16alpha-diol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.