Pentanedial,3,3-diphenyl
TL;DR: Pentanedial,3,3-diphenyl (CAS 64516-85-4) is a chemical compound with molecular formula C35H50O5 and molecular weight 550.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate
Also Known As: Pentanedial,3,3-diphenyl, 3,4-Dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-(acetyloxy)benzoate, [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate, Benzoic acid, 2-(acetyloxy)-, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, 2-Methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 2-(acetyloxy)benzoate
| Molecular Formula | C35H50O5 |
|---|---|
| Molecular Weight | 550.37 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 550.36584 |
| Heavy Atoms | 40 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 64516-85-4 |
|---|---|
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C3=CC=CC=C3OC(=O)C)C |
| InChIKey | VGJQDLTZHIOTHA-UHFFFAOYSA-N |
Product Overview
Pentanedial,3,3-diphenyl (CAS 64516-85-4), with molecular formula C35H50O5 and molecular weight 550.37 g/mol. IUPAC: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate.
Chemical Property Profile of Pentanedial,3,3-diphenyl
Property Insights of Pentanedial,3,3-diphenyl
The XLogP value of 11.1 indicates that Pentanedial,3,3-diphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedial,3,3-diphenyl. Following Lipinski's Rule of Five, Pentanedial,3,3-diphenyl has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedial,3,3-diphenyl?
The CAS number of Pentanedial,3,3-diphenyl is 64516-85-4.
What is the molecular formula of Pentanedial,3,3-diphenyl?
The molecular formula of Pentanedial,3,3-diphenyl is C35H50O5.
What is the molecular weight of Pentanedial,3,3-diphenyl?
The molecular weight of Pentanedial,3,3-diphenyl is 550.37 g/mol.
Where can I buy Pentanedial,3,3-diphenyl?
You can request a quote for Pentanedial,3,3-diphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedial,3,3-diphenyl?
Yes, KEHONG BIO provides custom synthesis services for Pentanedial,3,3-diphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.