1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate
TL;DR: 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate (CAS 4096-49-5) is a chemical compound with molecular formula C47H46O7 and molecular weight 722.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5,5-pentakis(phenylmethoxy)pentan-2-yl benzoate
Also Known As: KST-1B4099, 1,3,4,5,5-pentakis(phenylmethoxy)pentan-2-yl benzoate, 1,3,4,5,5-pentakis(benzyloxy)pentan-2-yl benzoate(non-preferred name)
| Molecular Formula | C47H46O7 |
|---|---|
| Molecular Weight | 722.32 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 722.32434 |
| Heavy Atoms | 54 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 4096-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCC(C(C(C(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | KEALHVFOMIRYCJ-UHFFFAOYSA-N |
Product Overview
1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate (CAS 4096-49-5), with molecular formula C47H46O7 and molecular weight 722.32 g/mol. IUPAC: 1,3,4,5,5-pentakis(phenylmethoxy)pentan-2-yl benzoate.
Chemical Property Profile of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate
Property Insights of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate
The XLogP value of 8.9 indicates that 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate. Following Lipinski's Rule of Five, 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate has 0 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 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate?
The CAS number of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate is 4096-49-5.
What is the molecular formula of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate?
The molecular formula of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate is C47H46O7.
What is the molecular weight of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate?
The molecular weight of 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate is 722.32 g/mol.
Where can I buy 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate?
You can request a quote for 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.