19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)
TL;DR: 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) (CAS 51248-70-5) is a chemical compound with molecular formula C42H56O6 and molecular weight 656.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(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: 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1), (17xi)-3beta-19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17beta-diol (1/1), [(3S,8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; (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 | C42H56O6 |
|---|---|
| Molecular Weight | 656.41 g/mol |
| LogP | 8.0351 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 656.4077 |
| Heavy Atoms | 48 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 51248-70-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CCC4(C#C)OC(=O)C)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | RGDVFOAIAUXJJY-CIVLLTSQSA-N |
Product Overview
19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) (CAS 51248-70-5), with molecular formula C42H56O6 and molecular weight 656.41 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(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 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)
Property Insights of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)
The XLogP value of 8.0351 indicates that 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--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 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1). Following Lipinski's Rule of Five, 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)?
The CAS number of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) is 51248-70-5.
What is the molecular formula of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)?
The molecular formula of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) is C42H56O6.
What is the molecular weight of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)?
The molecular weight of 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1) is 656.41 g/mol.
Where can I buy 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)?
You can request a quote for 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--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 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--estra-1(10),2,4-triene-3,17-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 19-Norpregn-4-en-20-yne-3,17-diyl diacetate--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.