Caraphenol A
TL;DR: Caraphenol A (CAS 354553-35-8) is a chemical compound with molecular formula C42H28O9 and molecular weight 676.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol
Also Known As: Caraphenol A, (+/-)-caraphenol A, tris(4-hydroxyphenyl)[?]triol, HY-N3540, J3.350.759C
| Molecular Formula | C42H28O9 |
|---|---|
| Molecular Weight | 676.17 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 676.17334 |
| Heavy Atoms | 51 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 354553-35-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H]2[C@H]3C4=C5[C@H]([C@@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(=CC(=C7)O)OC(=C8C9=C3C(=CC(=C9)O)O2)C1=CC=C(C=C1)O)O |
| InChIKey | ULEJGXIKBFHUOY-PIQPXYRBSA-N |
Product Overview
Caraphenol A (CAS 354553-35-8), with molecular formula C42H28O9 and molecular weight 676.17 g/mol. IUPAC: (10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),2,5,7,9(27),13,15,17(26),21,23-decaene-7,15,23-triol.
Chemical Property Profile of Caraphenol A
Property Insights of Caraphenol A
The XLogP value of 7.5 indicates that Caraphenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Caraphenol A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caraphenol A has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caraphenol A?
The CAS number of Caraphenol A is 354553-35-8.
What is the molecular formula of Caraphenol A?
The molecular formula of Caraphenol A is C42H28O9.
What is the molecular weight of Caraphenol A?
The molecular weight of Caraphenol A is 676.17 g/mol.
Where can I buy Caraphenol A?
You can request a quote for Caraphenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caraphenol A?
Yes, KEHONG BIO provides custom synthesis services for Caraphenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.