4-Ureidoetodolac
TL;DR: 4-Ureidoetodolac (CAS 111478-85-4) is a chemical compound with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(carbamoylamino)-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate
Also Known As: 4-Ureidoetodolac, ethyl 2-[4-(carbamoylamino)-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate, Ethyl 2-(8-ethyl-4-ureido-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate, ethyl[4-(carbamoylamino)-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate, Pyrano(3,4-b)indole-1-acetic acid, 4-((aminocarbonyl)amino)-1,8-diethyl-1,3,4,9-tetrahydro-
| Molecular Formula | C18H23N3O4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.16885 |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 111478-85-4 |
|---|---|
| SMILES | CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3NC(=O)N)CC(=O)OCC |
| InChIKey | JGZSZMJCKHJAKQ-UHFFFAOYSA-N |
Product Overview
4-Ureidoetodolac (CAS 111478-85-4), with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol. IUPAC: ethyl 2-[4-(carbamoylamino)-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate.
Chemical Property Profile of 4-Ureidoetodolac
Property Insights of 4-Ureidoetodolac
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ureidoetodolac. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ureidoetodolac. Following Lipinski's Rule of Five, 4-Ureidoetodolac has 3 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 4-Ureidoetodolac?
The CAS number of 4-Ureidoetodolac is 111478-85-4.
What is the molecular formula of 4-Ureidoetodolac?
The molecular formula of 4-Ureidoetodolac is C18H23N3O4.
What is the molecular weight of 4-Ureidoetodolac?
The molecular weight of 4-Ureidoetodolac is 345.17 g/mol.
Where can I buy 4-Ureidoetodolac?
You can request a quote for 4-Ureidoetodolac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ureidoetodolac?
Yes, KEHONG BIO provides custom synthesis services for 4-Ureidoetodolac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.