Methyl 4-(2,5-dimethylphenyl)pentanoate
TL;DR: Methyl 4-(2,5-dimethylphenyl)pentanoate (CAS 30316-09-7) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dimethylphenyl)pentanoate
Also Known As: Methyl 4-(2,5-dimethylphenyl)pentanoate, 4- valericacidmethylester, Valeric acid, 4-(2,5-xylyl)-, methyl ester, Methyl 4-(2,5-dimethylphenyl)pentanoate #, 4-(2,5-Dimethylphenyl)valeric acid methyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 30316-09-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C)CCC(=O)OC |
| InChIKey | ULDJFRVECKHMMR-UHFFFAOYSA-N |
Product Overview
Methyl 4-(2,5-dimethylphenyl)pentanoate (CAS 30316-09-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl 4-(2,5-dimethylphenyl)pentanoate.
Chemical Property Profile of Methyl 4-(2,5-dimethylphenyl)pentanoate
Property Insights of Methyl 4-(2,5-dimethylphenyl)pentanoate
The XLogP value of 3.4 indicates that Methyl 4-(2,5-dimethylphenyl)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-(2,5-dimethylphenyl)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2,5-dimethylphenyl)pentanoate has 0 hydrogen bond donor(s) and 2 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 Methyl 4-(2,5-dimethylphenyl)pentanoate?
The CAS number of Methyl 4-(2,5-dimethylphenyl)pentanoate is 30316-09-7.
What is the molecular formula of Methyl 4-(2,5-dimethylphenyl)pentanoate?
The molecular formula of Methyl 4-(2,5-dimethylphenyl)pentanoate is C14H20O2.
What is the molecular weight of Methyl 4-(2,5-dimethylphenyl)pentanoate?
The molecular weight of Methyl 4-(2,5-dimethylphenyl)pentanoate is 220.15 g/mol.
Where can I buy Methyl 4-(2,5-dimethylphenyl)pentanoate?
You can request a quote for Methyl 4-(2,5-dimethylphenyl)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,5-dimethylphenyl)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,5-dimethylphenyl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.