3,4-Dimethylphenyl 3-methoxybenzoate
TL;DR: 3,4-Dimethylphenyl 3-methoxybenzoate (CAS 438539-99-2) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) 3-methoxybenzoate
Also Known As: 3,4-Dimethylphenyl 3-methoxybenzoate, (3,4-dimethylphenyl) 3-methoxybenzoate, 3,4-Dimethylphenyl 3-methoxybenzoate #, 3-Methoxy-benzoic acid 3,4-dimethyl-phenyl ester, AB01334843-02
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 438539-99-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)OC)C |
| InChIKey | IYTHMLNYHIWVPH-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylphenyl 3-methoxybenzoate (CAS 438539-99-2), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: (3,4-dimethylphenyl) 3-methoxybenzoate.
Chemical Property Profile of 3,4-Dimethylphenyl 3-methoxybenzoate
Property Insights of 3,4-Dimethylphenyl 3-methoxybenzoate
The XLogP value of 4.0 indicates that 3,4-Dimethylphenyl 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,4-Dimethylphenyl 3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl 3-methoxybenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dimethylphenyl 3-methoxybenzoate?
The CAS number of 3,4-Dimethylphenyl 3-methoxybenzoate is 438539-99-2.
What is the molecular formula of 3,4-Dimethylphenyl 3-methoxybenzoate?
The molecular formula of 3,4-Dimethylphenyl 3-methoxybenzoate is C16H16O3.
What is the molecular weight of 3,4-Dimethylphenyl 3-methoxybenzoate?
The molecular weight of 3,4-Dimethylphenyl 3-methoxybenzoate is 256.11 g/mol.
Where can I buy 3,4-Dimethylphenyl 3-methoxybenzoate?
You can request a quote for 3,4-Dimethylphenyl 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylphenyl 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.