3-Hydroxy-5-estrane-17-carbonitrile
TL;DR: 3-Hydroxy-5-estrane-17-carbonitrile (CAS 151774-83-3) is a chemical compound with molecular formula C19H29NO and molecular weight 287.2249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
Also Known As: 3-Ohecn, 3-Hydroxy-5-estrane-17-carbonitrile, 3-Hydroxyestrane-17-carbonitrile, 3alpha-Hydroxy-5alpha-estrane-17beta-carbonitrile, (3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
Technical Specifications
| Molecular Formula | C19H29NO |
| Molecular Weight | 287.2249 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.2249 Da |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
| SMILES | C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2C#N)O |
| InChIKey | JAGRUIBFFLIBNA-NBSGIVTRSA-N |
Chemical Property Profile of 3-Hydroxy-5-estrane-17-carbonitrile
Property Insights of 3-Hydroxy-5-estrane-17-carbonitrile
The XLogP value of 4.5 indicates that 3-Hydroxy-5-estrane-17-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxy-5-estrane-17-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5-estrane-17-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-5-estrane-17-carbonitrile?
The CAS number of 3-Hydroxy-5-estrane-17-carbonitrile is 151774-83-3.
What is the molecular formula of 3-Hydroxy-5-estrane-17-carbonitrile?
The molecular formula of 3-Hydroxy-5-estrane-17-carbonitrile is C19H29NO.
What is the molecular weight of 3-Hydroxy-5-estrane-17-carbonitrile?
The molecular weight of 3-Hydroxy-5-estrane-17-carbonitrile is 287.2249 g/mol.
Where can I buy 3-Hydroxy-5-estrane-17-carbonitrile?
You can request a quote for 3-Hydroxy-5-estrane-17-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-5-estrane-17-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-5-estrane-17-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.