苯亚甲基丙二酸
TL;DR: 苯亚甲基丙二酸 (CAS 584-45-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯亚甲基丙二酸
2-benzylidenepropanedioic acid
Also Known As: Benzylidenemalonic acid, Benzalmalonic acid, Malonic acid, benzylidene-, benzalmalonsaure, 2-benzylidenepropanedioic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 584-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C(=O)O)C(=O)O |
| InChIKey | KXTAOXNYQGASTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯亚甲基丙二酸 (CAS 584-45-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 2-benzylidenepropanedioic acid.
Chemical Property Profile of 苯亚甲基丙二酸
Property Insights of 苯亚甲基丙二酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯亚甲基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯亚甲基丙二酸. Following Lipinski's Rule of Five, 苯亚甲基丙二酸 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 苯亚甲基丙二酸?
The CAS number of 苯亚甲基丙二酸 is 584-45-2.
What is the molecular formula of 苯亚甲基丙二酸?
The molecular formula of 苯亚甲基丙二酸 is C10H8O4.
What is the molecular weight of 苯亚甲基丙二酸?
The molecular weight of 苯亚甲基丙二酸 is 192.04 g/mol.
Where can I buy 苯亚甲基丙二酸?
You can request a quote for 苯亚甲基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯亚甲基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 苯亚甲基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.