Benzoic acid, 4-methoxy-, heptyl ester
TL;DR: Benzoic acid, 4-methoxy-, heptyl ester (CAS 10285-17-3) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-methoxybenzoate
Also Known As: Heptyl 4-methoxybenzoate, Benzoic acid, 4-methoxy-, heptyl ester, Benzoic acid, heptyl ester, p-Methoxybenzoic acid, heptyl ester, Heptyl 4-methoxybenzoate #
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 10285-17-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)OC |
| InChIKey | OEYMSYGFUQPUKZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-methoxy-, heptyl ester (CAS 10285-17-3), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: heptyl 4-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-methoxy-, heptyl ester
Property Insights of Benzoic acid, 4-methoxy-, heptyl ester
The XLogP value of 5.2 indicates that Benzoic acid, 4-methoxy-, heptyl 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-methoxy-, heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-methoxy-, heptyl 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-methoxy-, heptyl ester?
The CAS number of Benzoic acid, 4-methoxy-, heptyl ester is 10285-17-3.
What is the molecular formula of Benzoic acid, 4-methoxy-, heptyl ester?
The molecular formula of Benzoic acid, 4-methoxy-, heptyl ester is C15H22O3.
What is the molecular weight of Benzoic acid, 4-methoxy-, heptyl ester?
The molecular weight of Benzoic acid, 4-methoxy-, heptyl ester is 250.16 g/mol.
Where can I buy Benzoic acid, 4-methoxy-, heptyl ester?
You can request a quote for Benzoic acid, 4-methoxy-, heptyl 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-methoxy-, heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methoxy-, heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.