Diacetylscopadol
TL;DR: Diacetylscopadol (CAS 15065-50-6) is a chemical compound with molecular formula C24H38O5 and molecular weight 406.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate
Also Known As: Diacetylscopadol, Diacetyl scopadol, KST-1A1575, [(4r,4as,5s,6ar,8r,9r,11br)-8-(acetyloxy)-5-hydroxy-4,9,11b-trimethyltetradecahydro-9,11a-methanocyclohepta[a]naphthalen-4-yl]methyl acetate, 9,11a-Methano-11aH-cyclohepta[a]naphthalene-5,8-diol,4-[(acetyloxy)methyl]tetradecahydro-4,9,11b-trimethyl-, 8-acetate,(4R,4aR,5R,6aS,8S,9S,11aS,11bS)- (9CI)
| Molecular Formula | C24H38O5 |
|---|---|
| Molecular Weight | 406.27 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.2719 |
| Heavy Atoms | 29 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 15065-50-6 |
|---|---|
| SMILES | CC(=O)OC[C@@]1(CCC[C@@]2([C@@H]1[C@H](C[C@H]3C24CC[C@](C4)([C@@H](C3)OC(=O)C)C)O)C)C |
| InChIKey | GDBHWWGVCRIESX-JALILVTPSA-N |
Product Overview
Diacetylscopadol (CAS 15065-50-6), with molecular formula C24H38O5 and molecular weight 406.27 g/mol. IUPAC: [(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate.
Chemical Property Profile of Diacetylscopadol
Property Insights of Diacetylscopadol
The XLogP value of 4.5 indicates that Diacetylscopadol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetylscopadol. Following Lipinski's Rule of Five, Diacetylscopadol has 1 hydrogen bond donor(s) and 5 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 Diacetylscopadol?
The CAS number of Diacetylscopadol is 15065-50-6.
What is the molecular formula of Diacetylscopadol?
The molecular formula of Diacetylscopadol is C24H38O5.
What is the molecular weight of Diacetylscopadol?
The molecular weight of Diacetylscopadol is 406.27 g/mol.
Where can I buy Diacetylscopadol?
You can request a quote for Diacetylscopadol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylscopadol?
Yes, KEHONG BIO provides custom synthesis services for Diacetylscopadol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.