Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester
TL;DR: Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester (CAS 5312-03-8) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoate
Also Known As: Dimethyl 1,4-benzenedipropanoate, NCI60_024840, 1,4-Benzenedipropionic acid dimethyl ester, 1,4-Benzenedipropanoic acid, dimethyl ester, Dimethyl 3,3'-(1,4-phenylene)dipropanoate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 5312-03-8 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)CCC(=O)OC |
| InChIKey | YBPCZDKFGFYLAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester (CAS 5312-03-8), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: methyl 3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoate.
Chemical Property Profile of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester
Property Insights of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-(1,4-phenylene)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 Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester?
The CAS number of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester is 5312-03-8.
What is the molecular formula of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester?
The molecular formula of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester is C14H18O4.
What is the molecular weight of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester?
The molecular weight of Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester is 250.12 g/mol.
Where can I buy Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester?
You can request a quote for Propanoic acid, 3,3'-(1,4-phenylene)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 Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.