7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one
TL;DR: 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one (CAS 1805-85-2) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,10S)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Also Known As: Hasubanonine, hasbanonine, (-)-Hasubanonine, O-METHYLAKNADININE, HASUBANONINE [MI]
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 1805-85-2 |
|---|---|
| SMILES | CN1CC[C@@]23[C@@]1(CCC4=C2C(=C(C=C4)OC)OC)C(=C(C(=O)C3)OC)OC |
| InChIKey | DXUSNRCTWFHYFS-LEWJYISDSA-N |
Product Overview
7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one (CAS 1805-85-2), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: (1S,10S)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one.
Chemical Property Profile of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one
Property Insights of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one. With a topological polar surface area (TPSA) of 57.2 Ų, 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one has 0 hydrogen bond donor(s) and 6 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 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one?
The CAS number of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one is 1805-85-2.
What is the molecular formula of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one?
The molecular formula of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one is C21H27NO5.
What is the molecular weight of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one?
The molecular weight of 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one is 373.19 g/mol.
Where can I buy 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one?
You can request a quote for 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.