Thelephantin A
TL;DR: Thelephantin A (CAS 522649-86-1) is a chemical compound with molecular formula C29H24O9 and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-butanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Also Known As: Thelephantin A, J1.854.055J, [4-butanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate, (4-butanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl) 4-hydroxybenzoate, 2,5-Bis(4-hydroxyphenyl)benzene-1,3,4,6-tetrol 1-butyrate 4-(4-hydroxybenzoate)
| Molecular Formula | C29H24O9 |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 5.4733 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.142 |
| Heavy Atoms | 38 |
| Complexity | 1473.2239 |
Chemical Identifiers
| CAS Number | 522649-86-1 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC(=O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O |
Product Overview
Thelephantin A (CAS 522649-86-1), with molecular formula C29H24O9 and molecular weight 516.14 g/mol. IUPAC: [4-butanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate.
Chemical Property Profile of Thelephantin A
Property Insights of Thelephantin A
The XLogP value of 5.4733 indicates that Thelephantin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.75 Ų indicates high polarity, suggesting Thelephantin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thelephantin A has 5 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 Thelephantin A?
The CAS number of Thelephantin A is 522649-86-1.
What is the molecular formula of Thelephantin A?
The molecular formula of Thelephantin A is C29H24O9.
What is the molecular weight of Thelephantin A?
The molecular weight of Thelephantin A is 516.14 g/mol.
Where can I buy Thelephantin A?
You can request a quote for Thelephantin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thelephantin A?
Yes, KEHONG BIO provides custom synthesis services for Thelephantin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.