17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile
TL;DR: 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile (CAS 17006-17-6) is a chemical compound with molecular formula C20H27NO2 and molecular weight 313.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile
17-hydroxy-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
Also Known As: 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile, 17-hydroxy-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
| Molecular Formula | C20H27NO2 |
|---|---|
| Molecular Weight | 313.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.2042 |
| Heavy Atoms | 23 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 17006-17-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#N)O)CCC4=C3CC=C(C4)OC |
| InChIKey | MEEGGHJZTZFSBQ-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile (CAS 17006-17-6), with molecular formula C20H27NO2 and molecular weight 313.20 g/mol. IUPAC: 17-hydroxy-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile.
Chemical Property Profile of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile
Property Insights of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile has 1 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 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile?
The CAS number of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile is 17006-17-6.
What is the molecular formula of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile?
The molecular formula of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile is C20H27NO2.
What is the molecular weight of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile?
The molecular weight of 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile is 313.20 g/mol.
Where can I buy 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile?
You can request a quote for 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3-methoxyestra-2,5(10)-diene-17-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.