亚丙基丙二酸
TL;DR: 亚丙基丙二酸 (CAS 45741-61-5) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚丙基丙二酸
2-propylidenepropanedioic acid
Also Known As: propylidenepropanedioic acid, Propylidenmalonsaure, 2-propylidenepropanedioic acid, RefChem:375638
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 45741-61-5 |
|---|---|
| SMILES | CCC=C(C(=O)O)C(=O)O |
| InChIKey | FJWCTQCMDWCKEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚丙基丙二酸 (CAS 45741-61-5), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: 2-propylidenepropanedioic acid.
Chemical Property Profile of 亚丙基丙二酸
Property Insights of 亚丙基丙二酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚丙基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 亚丙基丙二酸. Following Lipinski's Rule of Five, 亚丙基丙二酸 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 亚丙基丙二酸?
The CAS number of 亚丙基丙二酸 is 45741-61-5.
What is the molecular formula of 亚丙基丙二酸?
The molecular formula of 亚丙基丙二酸 is C6H8O4.
What is the molecular weight of 亚丙基丙二酸?
The molecular weight of 亚丙基丙二酸 is 144.04 g/mol.
Where can I buy 亚丙基丙二酸?
You can request a quote for 亚丙基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚丙基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 亚丙基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.