11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate
TL;DR: 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate (CAS 224186-05-4) is a chemical compound with molecular formula C35H54O7 and molecular weight 586.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate
Also Known As: Integracin B, J1.691.046E, 11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate, Benzoic acid, 2,4-dihydroxy-6-(8-hydroxyundecyl)-, 8-(3,5-dihydroxyphenyl)-1-propyloctyl ester, [8-(3,5-dihydroxyphenyl)-1-propyl-octyl] 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate
| Molecular Formula | C35H54O7 |
|---|---|
| Molecular Weight | 586.39 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Exact Mass | 586.38696 |
| Heavy Atoms | 42 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 224186-05-4 |
|---|---|
| SMILES | CCCC(CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)O)O)O |
| InChIKey | IKNYNBVDLOWJFN-UHFFFAOYSA-N |
Product Overview
11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate (CAS 224186-05-4), with molecular formula C35H54O7 and molecular weight 586.39 g/mol. IUPAC: 11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate.
Chemical Property Profile of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate
Property Insights of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate
The XLogP value of 10.8 indicates that 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate. Following Lipinski's Rule of Five, 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate?
The CAS number of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate is 224186-05-4.
What is the molecular formula of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate?
The molecular formula of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate is C35H54O7.
What is the molecular weight of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate?
The molecular weight of 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate is 586.39 g/mol.
Where can I buy 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate?
You can request a quote for 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 11-(3,5-Dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-(8-hydroxyundecyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.