Dadahol A
TL;DR: Dadahol A (CAS 405281-76-7) is a chemical compound with molecular formula C39H38O12 and molecular weight 698.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Dadahol A, [(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C39H38O12 |
|---|---|
| Molecular Weight | 698.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 698.2363 |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 405281-76-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O[C@@H](COC(=O)/C=C/C2=CC=C(C=C2)O)[C@@H](C3=CC(=C(C=C3)O)OC)O)OC)/C=C/COC(=O)/C=C/C4=CC=C(C=C4)O |
| InChIKey | IKHAPHPJWABCCU-QANYRGJISA-N |
Product Overview
Dadahol A (CAS 405281-76-7), with molecular formula C39H38O12 and molecular weight 698.24 g/mol. IUPAC: [(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Dadahol A
Property Insights of Dadahol A
The XLogP value of 6.0 indicates that Dadahol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Dadahol A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dadahol A has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dadahol A?
The CAS number of Dadahol A is 405281-76-7.
What is the molecular formula of Dadahol A?
The molecular formula of Dadahol A is C39H38O12.
What is the molecular weight of Dadahol A?
The molecular weight of Dadahol A is 698.24 g/mol.
Where can I buy Dadahol A?
You can request a quote for Dadahol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dadahol A?
Yes, KEHONG BIO provides custom synthesis services for Dadahol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.