4'-O-demethylsordarin
TL;DR: 4'-O-demethylsordarin (CAS 178970-49-5) is a chemical compound with molecular formula C26H38O8 and molecular weight 478.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4R,5R,8R,9S,11R)-9-formyl-5-methyl-13-propan-2-yl-2-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Also Known As: 4'-O-demethylsordarin, 4'-Demethylsordarin, 4'-O-demethyl sordarin, GR-163598X, J1.550.194D
| Molecular Formula | C26H38O8 |
|---|---|
| Molecular Weight | 478.26 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.25668 |
| Heavy Atoms | 34 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 178970-49-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)O)O)O |
| InChIKey | YTWDSZAPPKUSFS-OIAXQXJYSA-N |
Product Overview
4'-O-demethylsordarin (CAS 178970-49-5), with molecular formula C26H38O8 and molecular weight 478.26 g/mol. IUPAC: (1R,2S,4R,5R,8R,9S,11R)-9-formyl-5-methyl-13-propan-2-yl-2-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid.
Chemical Property Profile of 4'-O-demethylsordarin
Property Insights of 4'-O-demethylsordarin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-O-demethylsordarin. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-O-demethylsordarin. Following Lipinski's Rule of Five, 4'-O-demethylsordarin has 4 hydrogen bond donor(s) and 8 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 4'-O-demethylsordarin?
The CAS number of 4'-O-demethylsordarin is 178970-49-5.
What is the molecular formula of 4'-O-demethylsordarin?
The molecular formula of 4'-O-demethylsordarin is C26H38O8.
What is the molecular weight of 4'-O-demethylsordarin?
The molecular weight of 4'-O-demethylsordarin is 478.26 g/mol.
Where can I buy 4'-O-demethylsordarin?
You can request a quote for 4'-O-demethylsordarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-demethylsordarin?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-demethylsordarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.