Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester
TL;DR: Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 100545-62-8) is a chemical compound with molecular formula C32H48O3 and molecular weight 480.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutyl)phenyl] 4-tetradecoxybenzoate
Also Known As: Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester, [4-(2-methylbutyl)phenyl] 4-tetradecoxybenzoate, J1.550.240A, 4-(2-METHYLBUTYL)PHENYL 4-(TETRADECYLOXY)BENZOATE, 4-(Tetradecyloxy)benzoic acid 4-(2-methylbutyl)phenyl ester
| Molecular Formula | C32H48O3 |
|---|---|
| Molecular Weight | 480.36 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 480.36035 |
| Heavy Atoms | 35 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 100545-62-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC |
| InChIKey | LUPNBXSIUBNAJF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester (CAS 100545-62-8), with molecular formula C32H48O3 and molecular weight 480.36 g/mol. IUPAC: [4-(2-methylbutyl)phenyl] 4-tetradecoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester
Property Insights of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester
The XLogP value of 12.1 indicates that Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The CAS number of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester is 100545-62-8.
What is the molecular formula of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular formula of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester is C32H48O3.
What is the molecular weight of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester?
The molecular weight of Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester is 480.36 g/mol.
Where can I buy Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester?
You can request a quote for Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(tetradecyloxy)-, 4-(2-methylbutyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.