1,4-苯二丙酸
TL;DR: 1,4-苯二丙酸 (CAS 4251-21-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-苯二丙酸
3-[4-(2-carboxyethyl)phenyl]propanoic acid
Also Known As: p-Phenylenedipropionicacid, p-Phenylenedipropionic acid, 1,4-benzenedipropanoic acid, 1,4-Phenylenedipropionic acid, 3,3'-(p-Phenylene)dipropionic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4251-21-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)O)CCC(=O)O |
| InChIKey | DFOCUWFSRVQSNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-苯二丙酸 (CAS 4251-21-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-[4-(2-carboxyethyl)phenyl]propanoic acid.
Chemical Property Profile of 1,4-苯二丙酸
Property Insights of 1,4-苯二丙酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-苯二丙酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-苯二丙酸. Following Lipinski's Rule of Five, 1,4-苯二丙酸 has 2 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-苯二丙酸?
The CAS number of 1,4-苯二丙酸 is 4251-21-2.
What is the molecular formula of 1,4-苯二丙酸?
The molecular formula of 1,4-苯二丙酸 is C12H14O4.
What is the molecular weight of 1,4-苯二丙酸?
The molecular weight of 1,4-苯二丙酸 is 222.09 g/mol.
Where can I buy 1,4-苯二丙酸?
You can request a quote for 1,4-苯二丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-苯二丙酸?
Yes, KEHONG BIO provides custom synthesis services for 1,4-苯二丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.