对苯二乙酸
TL;DR: 对苯二乙酸 (CAS 7325-46-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯二乙酸
2-[4-(carboxymethyl)phenyl]acetic acid
Also Known As: 1,4-Phenylenediacetic acid, p-Phenylenediacetic acid, 1,4-Benzenediacetic acid, 2,2'-(1,4-Phenylene)diacetic acid, 2-[4-(carboxymethyl)phenyl]acetic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 7325-46-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)CC(=O)O |
| InChIKey | SLWIPPZWFZGHEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二乙酸 (CAS 7325-46-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-[4-(carboxymethyl)phenyl]acetic acid.
Chemical Property Profile of 对苯二乙酸
Property Insights of 对苯二乙酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对苯二乙酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 对苯二乙酸. Following Lipinski's Rule of Five, 对苯二乙酸 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 对苯二乙酸?
The CAS number of 对苯二乙酸 is 7325-46-4.
What is the molecular formula of 对苯二乙酸?
The molecular formula of 对苯二乙酸 is C10H10O4.
What is the molecular weight of 对苯二乙酸?
The molecular weight of 对苯二乙酸 is 194.06 g/mol.
Where can I buy 对苯二乙酸?
You can request a quote for 对苯二乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯二乙酸?
Yes, KEHONG BIO provides custom synthesis services for 对苯二乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.