Methylbutylphenyl dodecyloxybenzoate, (2S)-
TL;DR: Methylbutylphenyl dodecyloxybenzoate, (2S)- (CAS 83846-95-1) is a chemical compound with molecular formula C30H44O3 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2S)-2-methylbutyl]phenyl] 4-dodecoxybenzoate
Also Known As: Methylbutylphenyl dodecyloxybenzoate, (2S)-, (+)-4-(2-Methylbutyl)phenyl 4-(dodecyloxy)benzoate, METHYLBUTYLPHENYL DODECYLOXYBENZOATE, (2S)-methylbutylphenyl dodecyloxybenzoate, (S)-(+)-4-n-Dodecyloxy-4'-(2-methylbutyl)phenylbenzoate
| Molecular Formula | C30H44O3 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 452.32904 |
| Heavy Atoms | 33 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 83846-95-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C[C@@H](C)CC |
| InChIKey | KOWGBOBLPFEEBC-VWLOTQADSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylbutylphenyl dodecyloxybenzoate, (2S)- (CAS 83846-95-1), with molecular formula C30H44O3 and molecular weight 452.33 g/mol. IUPAC: [4-[(2S)-2-methylbutyl]phenyl] 4-dodecoxybenzoate.
Chemical Property Profile of Methylbutylphenyl dodecyloxybenzoate, (2S)-
Property Insights of Methylbutylphenyl dodecyloxybenzoate, (2S)-
The XLogP value of 11.0 indicates that Methylbutylphenyl dodecyloxybenzoate, (2S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methylbutylphenyl dodecyloxybenzoate, (2S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylbutylphenyl dodecyloxybenzoate, (2S)- 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 Methylbutylphenyl dodecyloxybenzoate, (2S)-?
The CAS number of Methylbutylphenyl dodecyloxybenzoate, (2S)- is 83846-95-1.
What is the molecular formula of Methylbutylphenyl dodecyloxybenzoate, (2S)-?
The molecular formula of Methylbutylphenyl dodecyloxybenzoate, (2S)- is C30H44O3.
What is the molecular weight of Methylbutylphenyl dodecyloxybenzoate, (2S)-?
The molecular weight of Methylbutylphenyl dodecyloxybenzoate, (2S)- is 452.33 g/mol.
Where can I buy Methylbutylphenyl dodecyloxybenzoate, (2S)-?
You can request a quote for Methylbutylphenyl dodecyloxybenzoate, (2S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylbutylphenyl dodecyloxybenzoate, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for Methylbutylphenyl dodecyloxybenzoate, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.