3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
TL;DR: 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one (CAS 6482-98-0) is a chemical compound with molecular formula C22H26O3 and molecular weight 338.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one, J2.791.707K, 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaene-20-one, 3,6-Dimethoxy-19-norpregna-1,3,5(10),6,8-pentaen-20-one, 1-(3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclop
| Molecular Formula | C22H26O3 |
|---|---|
| Molecular Weight | 338.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1882 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 6482-98-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4C=CC(=CC4=C(C=C23)OC)OC)C |
| InChIKey | JAAOEGCBXVGVLL-RZUBCFFCSA-N |
Product Overview
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one (CAS 6482-98-0), with molecular formula C22H26O3 and molecular weight 338.19 g/mol. IUPAC: 1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Property Insights of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
The XLogP value of 4.8 indicates that 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one 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 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one?
The CAS number of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one is 6482-98-0.
What is the molecular formula of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one?
The molecular formula of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one is C22H26O3.
What is the molecular weight of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one?
The molecular weight of 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one is 338.19 g/mol.
Where can I buy 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one?
You can request a quote for 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.