邻苯二乙酸
TL;DR: 邻苯二乙酸 (CAS 7500-53-0) 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.
邻苯二乙酸
2-[2-(carboxymethyl)phenyl]acetic acid
Also Known As: 1,2-Phenylenediacetic acid, o-Phenylenediacetic acid, 2,2'-(1,2-Phenylene)diacetic acid, 2-[2-(carboxymethyl)phenyl]acetic acid, cobaltoctoate
| 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 | 200.0 |
Chemical Identifiers
| CAS Number | 7500-53-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)CC(=O)O |
| InChIKey | MMEDJBFVJUFIDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二乙酸 (CAS 7500-53-0), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-[2-(carboxymethyl)phenyl]acetic acid.
Chemical Property Profile of 邻苯二乙酸
Property Insights of 邻苯二乙酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二乙酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二乙酸. Following Lipinski's Rule of Five, 邻苯二乙酸 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 邻苯二乙酸?
The CAS number of 邻苯二乙酸 is 7500-53-0.
What is the molecular formula of 邻苯二乙酸?
The molecular formula of 邻苯二乙酸 is C10H10O4.
What is the molecular weight of 邻苯二乙酸?
The molecular weight of 邻苯二乙酸 is 194.06 g/mol.
Where can I buy 邻苯二乙酸?
You can request a quote for 邻苯二乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二乙酸?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.