ChemDiv3_008241
TL;DR: ChemDiv3_008241 (CAS 892278-29-4) is a chemical compound with molecular formula C17H19N5O6 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[2-[(3-ethylphenyl)carbamoylamino]-2-oxoethyl]triazole-4,5-dicarboxylate
Also Known As: ChemDiv3_008241, IDI1_026151, dimethyl 1-[2-({[(3-ethylphenyl)amino]carbonyl}amino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate, BRD-K91824328-001-01-1, Dimethyl 1-(2-(3-(3-ethylphenyl)ureido)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C17H19N5O6 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 0.762 |
| Topological Polar Surface Area | 141.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.13354 |
| Heavy Atoms | 28 |
| Complexity | 907.193 |
Chemical Identifiers
| CAS Number | 892278-29-4 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)NC(=O)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv3_008241 (CAS 892278-29-4), with molecular formula C17H19N5O6 and molecular weight 389.13 g/mol. IUPAC: dimethyl 1-[2-[(3-ethylphenyl)carbamoylamino]-2-oxoethyl]triazole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv3_008241
Property Insights of ChemDiv3_008241
The XLogP value of 0.762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008241. The TPSA of 141.51 Ų indicates high polarity, suggesting ChemDiv3_008241 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv3_008241 has 2 hydrogen bond donor(s) and 8 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 ChemDiv3_008241?
The CAS number of ChemDiv3_008241 is 892278-29-4.
What is the molecular formula of ChemDiv3_008241?
The molecular formula of ChemDiv3_008241 is C17H19N5O6.
What is the molecular weight of ChemDiv3_008241?
The molecular weight of ChemDiv3_008241 is 389.13 g/mol.
Where can I buy ChemDiv3_008241?
You can request a quote for ChemDiv3_008241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.