CID 98249
TL;DR: CID 98249 (CAS 4166-67-0) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)-4-oxobut-2-enoic acid
Also Known As: N-Ethylmaleamic acid, 4-(ethylamino)-4-oxobut-2-enoic acid, NCIOpen2_001347, 4-(Ethylamino)-4-oxoisocrotonic acid, 4-(ethylamino)-4-oxo-but-2-enoic acid
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 4166-67-0 |
|---|---|
| SMILES | CCNC(=O)C=CC(=O)O |
| InChIKey | HBQGCOWNLUOCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 98249 (CAS 4166-67-0), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: 4-(ethylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of CID 98249
Property Insights of CID 98249
The XLogP value of -0.3 indicates that CID 98249 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 98249. Following Lipinski's Rule of Five, CID 98249 has 2 hydrogen bond donor(s) and 3 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 98249?
The CAS number of CID 98249 is 4166-67-0.
What is the molecular formula of CID 98249?
The molecular formula of CID 98249 is C6H9NO3.
What is the molecular weight of CID 98249?
The molecular weight of CID 98249 is 143.06 g/mol.
Where can I buy CID 98249?
You can request a quote for CID 98249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 98249?
Yes, KEHONG BIO provides custom synthesis services for CID 98249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.