Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester
TL;DR: Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester (CAS 75908-68-8) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
Also Known As: DIMETHYL 4,4'-(PROPANE-1,3-DIYL)DIBENZOATE, Methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate, methyl 4-{3-[4-(methoxycarbonyl)phenyl]propyl}benzoate, Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester, Benzoic acid, 4,4a(2)-(1,3-propanediyl)bis-, dimethyl ester
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 3.4351 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 597.2739 |
Chemical Identifiers
| CAS Number | 75908-68-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CCCC2=CC=C(C=C2)C(=O)OC |
Product Overview
Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester (CAS 75908-68-8), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate.
Chemical Property Profile of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester
Property Insights of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester
The XLogP value of 3.4351 indicates that Benzoic acid, 4,4'-(1,3-propanediyl)bis-, 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, Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-(1,3-propanediyl)bis-, 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 Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester?
The CAS number of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester is 75908-68-8.
What is the molecular formula of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester?
The molecular formula of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester is C19H20O4.
What is the molecular weight of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester?
The molecular weight of Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester is 312.14 g/mol.
Where can I buy Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester?
You can request a quote for Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl 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, 4,4'-(1,3-propanediyl)bis-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4,4'-(1,3-propanediyl)bis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.