CID 85143
TL;DR: CID 85143 (CAS 925-03-1) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-propoxybut-2-enoic acid
Also Known As: Monopropyl maleate, Propyl hydrogen maleate, 2-Butenedioic acid (2Z)-, monopropyl ester, 2-Butenedioic acid (Z)-, monopropyl ester, 2-Butenedioic acid (2Z)-, 1-propyl ester
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 925-03-1 |
|---|---|
| SMILES | CCCOC(=O)C=CC(=O)O |
| InChIKey | AYAUWVRAUCDBFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 85143 (CAS 925-03-1), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 4-oxo-4-propoxybut-2-enoic acid.
Chemical Property Profile of CID 85143
Property Insights of CID 85143
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 85143. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 85143. Following Lipinski's Rule of Five, CID 85143 has 1 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 CID 85143?
The CAS number of CID 85143 is 925-03-1.
What is the molecular formula of CID 85143?
The molecular formula of CID 85143 is C7H10O4.
What is the molecular weight of CID 85143?
The molecular weight of CID 85143 is 158.06 g/mol.
Where can I buy CID 85143?
You can request a quote for CID 85143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 85143?
Yes, KEHONG BIO provides custom synthesis services for CID 85143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.