3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile
TL;DR: 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile (CAS 59308-48-4) is a chemical compound with molecular formula C22H29NO2 and molecular weight 339.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
Also Known As: 3-Methoxy-17-beta-cyanethoxyestra-1,3,5(10)-trien, 3-Methoxy-17-beta-cyanethoxyoestra-1,3,5(10)-trien, 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile, 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)propionitrile, 3-{[(17
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 59308-48-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCC#N)CCC4=C3C=CC(=C4)OC |
| InChIKey | SKZOMAZQGJCCKH-AANPDWTMSA-N |
Product Overview
3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile (CAS 59308-48-4), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: 3-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile.
Chemical Property Profile of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile
Property Insights of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile
The XLogP value of 3.3 indicates that 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile?
The CAS number of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile is 59308-48-4.
What is the molecular formula of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile?
The molecular formula of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile is C22H29NO2.
What is the molecular weight of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile?
The molecular weight of 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile is 339.22 g/mol.
Where can I buy 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile?
You can request a quote for 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.