Celapanine
TL;DR: Celapanine (CAS 52658-32-9) is a chemical compound with molecular formula C30H35NO10 and molecular weight 569.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5S,6S,7R,8R,9R,12R)-5,8-diacetyloxy-12-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
Also Known As: Celapanine, Benzene,1,1'-[1,2-ethanediylbis(oxy)]bis[tribromochloro, [(1S,5S,6S,7R,8R,9R,12R)-5,8-diacetyloxy-12-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate, methyl (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, (3R,4R,5R,5aS,6S,9aS,10R)-4,6-Bis(acetyloxy)-10-[(furan-3-carbonyl)oxy]-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-5-yl pyridine-3-carboxylate
| Molecular Formula | C30H35NO10 |
|---|---|
| Molecular Weight | 569.23 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 569.2261 |
| Heavy Atoms | 41 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 52658-32-9 |
|---|---|
| SMILES | CC1CC[C@@H]([C@@]2([C@]13[C@@H]([C@@H]([C@H]([C@@H]2OC(=O)C4=CN=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C5=COC=C5)C)OC(=O)C |
| InChIKey | MHXMEJIEIHJTGN-GTTNOKDOSA-N |
Product Overview
Celapanine (CAS 52658-32-9), with molecular formula C30H35NO10 and molecular weight 569.23 g/mol. IUPAC: [(1S,5S,6S,7R,8R,9R,12R)-5,8-diacetyloxy-12-(furan-3-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate.
Chemical Property Profile of Celapanine
Property Insights of Celapanine
The XLogP value of 3.5 indicates that Celapanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Celapanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Celapanine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Celapanine?
The CAS number of Celapanine is 52658-32-9.
What is the molecular formula of Celapanine?
The molecular formula of Celapanine is C30H35NO10.
What is the molecular weight of Celapanine?
The molecular weight of Celapanine is 569.23 g/mol.
Where can I buy Celapanine?
You can request a quote for Celapanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celapanine?
Yes, KEHONG BIO provides custom synthesis services for Celapanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.