环巴胺烯酮
TL;DR: 环巴胺烯酮 (CAS 14410-98-1) is a chemical compound with molecular formula C27H39NO2 and molecular weight 409.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环巴胺烯酮
(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[1,2,5,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one
Also Known As: Cyclopamine enone, 11-Deoxojervine-4-en-3-one, Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridin)-3(1H)-one, 2,3'a,4',5,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-, Jervine, 4,5-didehydro-11-deoxo-3-deoxy-5,6-dihydro-3-oxo-, (22S,23R)-17beta-4,5-Didehydro-5,6-dihydro-17,23-epoxyveratraman-3-one
| Molecular Formula | C27H39NO2 |
|---|---|
| Molecular Weight | 409.30 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.29807 |
| Heavy Atoms | 30 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 14410-98-1 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C3C)C)C)NC1 |
| InChIKey | SKWIGGSUCKQTMK-XDDOBYEYSA-N |
Product Overview
环巴胺烯酮 (CAS 14410-98-1), with molecular formula C27H39NO2 and molecular weight 409.30 g/mol. IUPAC: (3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[1,2,5,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one.
Chemical Property Profile of 环巴胺烯酮
Property Insights of 环巴胺烯酮
The XLogP value of 3.5 indicates that 环巴胺烯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 环巴胺烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环巴胺烯酮 has 1 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 环巴胺烯酮?
The CAS number of 环巴胺烯酮 is 14410-98-1.
What is the molecular formula of 环巴胺烯酮?
The molecular formula of 环巴胺烯酮 is C27H39NO2.
What is the molecular weight of 环巴胺烯酮?
The molecular weight of 环巴胺烯酮 is 409.30 g/mol.
Where can I buy 环巴胺烯酮?
You can request a quote for 环巴胺烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环巴胺烯酮?
Yes, KEHONG BIO provides custom synthesis services for 环巴胺烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.