1,4-Benzenedipentanoic acid, dimethyl ester
TL;DR: 1,4-Benzenedipentanoic acid, dimethyl ester (CAS 23422-25-5) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[4-(5-methoxy-5-oxopentyl)phenyl]pentanoate
Also Known As: 1,4-Benzenedipentanoic acid, dimethyl ester, 5.5'-p-Phenyl-divaleriansaeure-dimethylester, Dimethyl 5,5'-(1,4-phenylene)dipentanoate, methyl 5-[4-(5-methoxy-5-oxopentyl)phenyl]pentanoate, Methyl 5-[4-(4-methoxycarbonylbutyl)phenyl]pentanoate
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 3.4582 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 407.65988 |
Chemical Identifiers
| CAS Number | 23422-25-5 |
|---|---|
| SMILES | COC(=O)CCCCC1=CC=C(C=C1)CCCCC(=O)OC |
Product Overview
1,4-Benzenedipentanoic acid, dimethyl ester (CAS 23422-25-5), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: methyl 5-[4-(5-methoxy-5-oxopentyl)phenyl]pentanoate.
Chemical Property Profile of 1,4-Benzenedipentanoic acid, dimethyl ester
Property Insights of 1,4-Benzenedipentanoic acid, dimethyl ester
The XLogP value of 3.4582 indicates that 1,4-Benzenedipentanoic acid, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Benzenedipentanoic acid, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedipentanoic acid, dimethyl ester has 0 hydrogen bond donor(s) and 4 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 1,4-Benzenedipentanoic acid, dimethyl ester?
The CAS number of 1,4-Benzenedipentanoic acid, dimethyl ester is 23422-25-5.
What is the molecular formula of 1,4-Benzenedipentanoic acid, dimethyl ester?
The molecular formula of 1,4-Benzenedipentanoic acid, dimethyl ester is C18H26O4.
What is the molecular weight of 1,4-Benzenedipentanoic acid, dimethyl ester?
The molecular weight of 1,4-Benzenedipentanoic acid, dimethyl ester is 306.18 g/mol.
Where can I buy 1,4-Benzenedipentanoic acid, dimethyl ester?
You can request a quote for 1,4-Benzenedipentanoic acid, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedipentanoic acid, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedipentanoic acid, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.