17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)
TL;DR: 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) (CAS 62057-27-6) is a chemical compound with molecular formula C38H50O4 and molecular weight 570.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Netagen, 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1), (17xi)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17beta-diol (1/1), (8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, (8R,9S,10R,13S,14S)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C38H50O4 |
|---|---|
| Molecular Weight | 570.37 g/mol |
| LogP | 7.1017 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 570.3709 |
| Heavy Atoms | 42 |
| Complexity | 1322.5807 |
Chemical Identifiers
| CAS Number | 62057-27-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)CC[C@H]34 |
Product Overview
17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) (CAS 62057-27-6), with molecular formula C38H50O4 and molecular weight 570.37 g/mol. IUPAC: (8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)
Property Insights of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)
The XLogP value of 7.1017 indicates that 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1). Following Lipinski's Rule of Five, 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)?
The CAS number of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) is 62057-27-6.
What is the molecular formula of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)?
The molecular formula of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) is C38H50O4.
What is the molecular weight of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)?
The molecular weight of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) is 570.37 g/mol.
Where can I buy 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)?
You can request a quote for 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-19-norpregn-4-en-20-yn-3-one--estra-1(10),2,4-triene-3,17-diol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.