NCIOpen2_008927
TL;DR: NCIOpen2_008927 (CAS 5054-73-9) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol
Also Known As: NCIOpen2_008927, 3-[(Prop-2-en-1-yl)oxy]estra-1,3,5(10)-trien-16-ol, 13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 4.4684 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 607.8592 |
Chemical Identifiers
| CAS Number | 5054-73-9 |
|---|---|
| SMILES | CC12CCC3C(C1CC(C2)O)CCC4=C3C=CC(=C4)OCC=C |
Product Overview
NCIOpen2_008927 (CAS 5054-73-9), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: 13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol.
Chemical Property Profile of NCIOpen2_008927
Property Insights of NCIOpen2_008927
The XLogP value of 4.4684 indicates that NCIOpen2_008927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, NCIOpen2_008927 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008927 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
Frequently Asked Questions
What is the CAS number of NCIOpen2_008927?
The CAS number of NCIOpen2_008927 is 5054-73-9.
What is the molecular formula of NCIOpen2_008927?
The molecular formula of NCIOpen2_008927 is C21H28O2.
What is the molecular weight of NCIOpen2_008927?
The molecular weight of NCIOpen2_008927 is 312.21 g/mol.
Where can I buy NCIOpen2_008927?
You can request a quote for NCIOpen2_008927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008927?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.