Yuanhuadin
TL;DR: Yuanhuadin (CAS 76402-66-9) is a chemical compound with molecular formula C32H42O10 and molecular weight 586.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
Also Known As: Yuanhuadine, Yuanhuadin, 12-Debenzoyl-12-acetylgnidilatidin, J2.394.805B, [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
| Molecular Formula | C32H42O10 |
|---|---|
| Molecular Weight | 586.28 g/mol |
| LogP | 2.4105 |
| Topological Polar Surface Area | 144.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 586.2778 |
| Heavy Atoms | 42 |
| Complexity | 1287.6411 |
Chemical Identifiers
| CAS Number | 76402-66-9 |
|---|---|
| SMILES | CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO |
Product Overview
Yuanhuadin (CAS 76402-66-9), with molecular formula C32H42O10 and molecular weight 586.28 g/mol. IUPAC: [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate.
Chemical Property Profile of Yuanhuadin
Property Insights of Yuanhuadin
The XLogP value of 2.4105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yuanhuadin. The TPSA of 144.28 Ų indicates high polarity, suggesting Yuanhuadin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yuanhuadin has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yuanhuadin?
The CAS number of Yuanhuadin is 76402-66-9.
What is the molecular formula of Yuanhuadin?
The molecular formula of Yuanhuadin is C32H42O10.
What is the molecular weight of Yuanhuadin?
The molecular weight of Yuanhuadin is 586.28 g/mol.
Where can I buy Yuanhuadin?
You can request a quote for Yuanhuadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yuanhuadin?
Yes, KEHONG BIO provides custom synthesis services for Yuanhuadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.