(17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile
TL;DR: (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile (CAS 33261-95-9) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10'R,13'S,14'S,17'S)-17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
Also Known As: KST-1A3984, (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile, (10'R,13'S,14'S,17'S)-17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile, (10r,13s,14s,17s)-17-hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile, 17
| Molecular Formula | C22H31NO3 |
|---|---|
| Molecular Weight | 357.23 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.2304 |
| Heavy Atoms | 26 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 33261-95-9 |
|---|---|
| SMILES | C[C@]12CCC3C([C@@H]1CC[C@]2(C#N)O)CC=C4[C@@]3(CCC5(C4)OCCO5)C |
| InChIKey | VRSHJJXUDZAQKD-KHQZEDJGSA-N |
Product Overview
(17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile (CAS 33261-95-9), with molecular formula C22H31NO3 and molecular weight 357.23 g/mol. IUPAC: (10'R,13'S,14'S,17'S)-17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile.
Chemical Property Profile of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile
Property Insights of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile
The XLogP value of 3.0 indicates that (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile. Following Lipinski's Rule of Five, (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile has 1 hydrogen bond donor(s) and 4 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 (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile?
The CAS number of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile is 33261-95-9.
What is the molecular formula of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile?
The molecular formula of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile is C22H31NO3.
What is the molecular weight of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile?
The molecular weight of (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile is 357.23 g/mol.
Where can I buy (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile?
You can request a quote for (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (17beta)-3,3-(Ethylenebis(oxy))-17-hydroxyandrost-5-ene-17-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.