NCIOpen2_009650
TL;DR: NCIOpen2_009650 (CAS 53-44-1) 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-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]propanenitrile
Also Known As: NCIOpen2_009650, 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)propionitrile, 3-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]propanenitrile
| Molecular Formula | C22H29NO2 |
|---|---|
| Molecular Weight | 339.22 g/mol |
| LogP | 4.85018 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.21982 |
| Heavy Atoms | 25 |
| Complexity | 679.09503 |
Chemical Identifiers
| CAS Number | 53-44-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OCCC#N)CCC4=C3C=CC(=C4)OC |
Product Overview
NCIOpen2_009650 (CAS 53-44-1), with molecular formula C22H29NO2 and molecular weight 339.22 g/mol. IUPAC: 3-[(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 NCIOpen2_009650
Property Insights of NCIOpen2_009650
The XLogP value of 4.85018 indicates that NCIOpen2_009650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, NCIOpen2_009650 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_009650 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 NCIOpen2_009650?
The CAS number of NCIOpen2_009650 is 53-44-1.
What is the molecular formula of NCIOpen2_009650?
The molecular formula of NCIOpen2_009650 is C22H29NO2.
What is the molecular weight of NCIOpen2_009650?
The molecular weight of NCIOpen2_009650 is 339.22 g/mol.
Where can I buy NCIOpen2_009650?
You can request a quote for NCIOpen2_009650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009650?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.