Ethyl e-4-carboxamide
TL;DR: Ethyl e-4-carboxamide (CAS 445017-13-0) is a chemical compound with molecular formula C18H23IN2O5 and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl e-4-carboxamide, ethyl 4-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ETHYL 4-(3-IODO-4-ISOPROPOXY-5-METHOXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, ethyl 4-(3-iodo-4-isopropoxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[3-iodo-5-methoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H23IN2O5 |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 3.278 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.06516 |
| Heavy Atoms | 26 |
| Complexity | 745.34216 |
Chemical Identifiers
| CAS Number | 445017-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)I)OC(C)C)OC)C |
Product Overview
Ethyl e-4-carboxamide (CAS 445017-13-0), with molecular formula C18H23IN2O5 and molecular weight 474.07 g/mol. IUPAC: ethyl 4-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl e-4-carboxamide
Property Insights of Ethyl e-4-carboxamide
The XLogP value of 3.278 indicates that Ethyl e-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl e-4-carboxamide. Following Lipinski's Rule of Five, Ethyl e-4-carboxamide has 2 hydrogen bond donor(s) and 5 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 Ethyl e-4-carboxamide?
The CAS number of Ethyl e-4-carboxamide is 445017-13-0.
What is the molecular formula of Ethyl e-4-carboxamide?
The molecular formula of Ethyl e-4-carboxamide is C18H23IN2O5.
What is the molecular weight of Ethyl e-4-carboxamide?
The molecular weight of Ethyl e-4-carboxamide is 474.07 g/mol.
Where can I buy Ethyl e-4-carboxamide?
You can request a quote for Ethyl e-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl e-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl e-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.