4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate
TL;DR: 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate (CAS 41161-57-3) is a chemical compound with molecular formula C35H43ClO4 and molecular weight 562.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-4-(4-octylbenzoyl)oxyphenyl] 4-heptylbenzoate
Also Known As: [3-chloro-4-(4-octylbenzoyl)oxyphenyl] 4-heptylbenzoate|[2-chloro-4-(4-heptylbenzoyl)oxy-phenyl] 4-octylbenzoate|4-OCTYLPHENYL 2-CHLORO-4-(4-HEPTYLBENZOYL-OXY)BENZOATE
| Molecular Formula | C35H43ClO4 |
|---|---|
| Molecular Weight | 562.28 g/mol |
| LogP | 10.1943 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 562.285 |
| Heavy Atoms | 40 |
| Complexity | 1185.0173 |
Chemical Identifiers
| CAS Number | 41161-57-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC)Cl |
Product Overview
4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate (CAS 41161-57-3), with molecular formula C35H43ClO4 and molecular weight 562.28 g/mol. IUPAC: [3-chloro-4-(4-octylbenzoyl)oxyphenyl] 4-heptylbenzoate.
Chemical Property Profile of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate
Property Insights of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate
The XLogP value of 10.1943 indicates that 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate?
The CAS number of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate is 41161-57-3.
What is the molecular formula of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate?
The molecular formula of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate is C35H43ClO4.
What is the molecular weight of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate?
The molecular weight of 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate is 562.28 g/mol.
Where can I buy 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate?
You can request a quote for 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Octylphenyl 2-chloro-4-(4-heptylbenzoyl-oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.