2-O-n-Butyrylpseudomajucin
TL;DR: 2-O-n-Butyrylpseudomajucin (CAS 329695-80-9) is a chemical compound with molecular formula C19H28O6 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,5R,7R,12R,13S,14S)-5-hydroxy-2,13,14-trimethyl-9-oxo-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-12-yl] butanoate
Also Known As: 2-O-n-Butyrylpseudomajucin, 2-O-Butyrylpseudomajucin, J1.514.261H, (1R,4S,5aS,6R,7S,8aR,12R)-4-hydroxy-1,6,12-trimethyl-10-oxohexahydro-6H-8a,5a-(epoxyethano)-1,4-methanocyclopenta[d]oxepin-7-yl rel-butanoate, butanoic acid, (3aR,5R,8S,8aS,10R,11S,12S)-hexahydro-5-hydroxy-8,11,12-trimethyl-2-oxo-5,8-methano-3a,8a-propanofuro[2,3-d]oxepin-10-yl ester
| Molecular Formula | C19H28O6 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1886 |
| Heavy Atoms | 25 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 329695-80-9 |
|---|---|
| SMILES | CCCC(=O)O[C@@H]1C[C@@]23[C@@]4(CO[C@@]([C@H]4C)(C[C@]2([C@@H]1C)CC(=O)O3)O)C |
| InChIKey | BPFIEMBUQXGEAE-YMHKSCFQSA-N |
Product Overview
2-O-n-Butyrylpseudomajucin (CAS 329695-80-9), with molecular formula C19H28O6 and molecular weight 352.19 g/mol. IUPAC: [(1S,2S,5R,7R,12R,13S,14S)-5-hydroxy-2,13,14-trimethyl-9-oxo-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-12-yl] butanoate.
Chemical Property Profile of 2-O-n-Butyrylpseudomajucin
Property Insights of 2-O-n-Butyrylpseudomajucin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-O-n-Butyrylpseudomajucin. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-n-Butyrylpseudomajucin. Following Lipinski's Rule of Five, 2-O-n-Butyrylpseudomajucin has 1 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 2-O-n-Butyrylpseudomajucin?
The CAS number of 2-O-n-Butyrylpseudomajucin is 329695-80-9.
What is the molecular formula of 2-O-n-Butyrylpseudomajucin?
The molecular formula of 2-O-n-Butyrylpseudomajucin is C19H28O6.
What is the molecular weight of 2-O-n-Butyrylpseudomajucin?
The molecular weight of 2-O-n-Butyrylpseudomajucin is 352.19 g/mol.
Where can I buy 2-O-n-Butyrylpseudomajucin?
You can request a quote for 2-O-n-Butyrylpseudomajucin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-n-Butyrylpseudomajucin?
Yes, KEHONG BIO provides custom synthesis services for 2-O-n-Butyrylpseudomajucin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.