2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate
TL;DR: 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate (CAS 41161-53-9) is a chemical compound with molecular formula C30H33ClO4 and molecular weight 492.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-4-(4-pentylbenzoyl)oxyphenyl] 4-pentylbenzoate
Also Known As: Benzoic acid, 2-chloro-4-((4-pentylbenzoyl)oxy)-, 4-pentylphenyl ester, 4-PENTYLPHENYL 2-CHLORO-4-(4-PENTYLBENZOYLOXY)BENZOATE, [2-chloro-4-(4-pentylbenzoyl)oxy-phenyl] 4-pentylbenzoate, [3-chloro-4-(4-pentylbenzoyl)oxy-phenyl] 4-pentylbenzoate, [3-chloro-4-(4-pentylbenzoyl)oxyphenyl] 4-pentylbenzoate
| Molecular Formula | C30H33ClO4 |
|---|---|
| Molecular Weight | 492.21 g/mol |
| LogP | 8.2438 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 492.20673 |
| Heavy Atoms | 35 |
| Complexity | 1104.2053 |
Chemical Identifiers
| CAS Number | 41161-53-9 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)Cl |
Product Overview
2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate (CAS 41161-53-9), with molecular formula C30H33ClO4 and molecular weight 492.21 g/mol. IUPAC: [3-chloro-4-(4-pentylbenzoyl)oxyphenyl] 4-pentylbenzoate.
Chemical Property Profile of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate
Property Insights of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate
The XLogP value of 8.2438 indicates that 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate 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 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate?
The CAS number of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate is 41161-53-9.
What is the molecular formula of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate?
The molecular formula of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate is C30H33ClO4.
What is the molecular weight of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate?
The molecular weight of 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate is 492.21 g/mol.
Where can I buy 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate?
You can request a quote for 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(4-pentylphenylcarbonyloxy)phenyl 4-pentylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.