Odoratrin
TL;DR: Odoratrin (CAS 71252-72-7) is a chemical compound with molecular formula C37H44O10 and molecular weight 648.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate
Also Known As: Odoratrin, Daphne factor P2, 1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride, 6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one,dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(((2E,4E,6E)-1-oxo-2,4,6-decatrienyl)oxy)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,7S,8aR,8bR,9R,10R,10aS)-
| Molecular Formula | C37H44O10 |
|---|---|
| Molecular Weight | 648.29 g/mol |
| LogP | 3.4032 |
| Topological Polar Surface Area | 144.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 648.29346 |
| Heavy Atoms | 47 |
| Complexity | 1552.801 |
Chemical Identifiers
| CAS Number | 71252-72-7 |
|---|---|
| SMILES | CCC/C=C/C=C/C=C/C(=O)OC1C(C23C4CC(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C |
Product Overview
Odoratrin (CAS 71252-72-7), with molecular formula C37H44O10 and molecular weight 648.29 g/mol. IUPAC: [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate.
Chemical Property Profile of Odoratrin
Property Insights of Odoratrin
The XLogP value of 3.4032 indicates that Odoratrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.28 Ų indicates high polarity, suggesting Odoratrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Odoratrin 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 Odoratrin?
The CAS number of Odoratrin is 71252-72-7.
What is the molecular formula of Odoratrin?
The molecular formula of Odoratrin is C37H44O10.
What is the molecular weight of Odoratrin?
The molecular weight of Odoratrin is 648.29 g/mol.
Where can I buy Odoratrin?
You can request a quote for Odoratrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Odoratrin?
Yes, KEHONG BIO provides custom synthesis services for Odoratrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.