NCIOpen2_003491
TL;DR: NCIOpen2_003491 (CAS 101978-01-2) is a chemical compound with molecular formula C19H28O2 and molecular weight 288.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: NCIOpen2_003491, 3-Methoxy-estra-2,5(10)-dien-17-ol, 3-Methoxyestra-2,5(10)-dien-17-ol #, 17-Hydroxy-3-methoxy-estra-2,5(10)-diene, 3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
| Molecular Formula | C19H28O2 |
|---|---|
| Molecular Weight | 288.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.20892 |
| Heavy Atoms | 21 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 101978-01-2 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3CC=C(C4)OC |
| InChIKey | XFFZLECPCHQJIR-UHFFFAOYSA-N |
Product Overview
NCIOpen2_003491 (CAS 101978-01-2), with molecular formula C19H28O2 and molecular weight 288.21 g/mol. IUPAC: 3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of NCIOpen2_003491
Property Insights of NCIOpen2_003491
The XLogP value of 3.3 indicates that NCIOpen2_003491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, NCIOpen2_003491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_003491 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_003491?
The CAS number of NCIOpen2_003491 is 101978-01-2.
What is the molecular formula of NCIOpen2_003491?
The molecular formula of NCIOpen2_003491 is C19H28O2.
What is the molecular weight of NCIOpen2_003491?
The molecular weight of NCIOpen2_003491 is 288.21 g/mol.
Where can I buy NCIOpen2_003491?
You can request a quote for NCIOpen2_003491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_003491?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_003491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.