ChemDiv1_014165
TL;DR: ChemDiv1_014165 (CAS 393848-46-9) is a chemical compound with molecular formula C24H26N6O8S2 and molecular weight 590.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_014165, diethyl 3-methyl-5-(2-((4-methyl-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate, F0520-0230, diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate, 2,4-DIETHYL 3-METHYL-5-{2-[(4-METHYL-5-{[(4-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}THIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C24H26N6O8S2 |
|---|---|
| Molecular Weight | 590.13 g/mol |
| LogP | 3.10742 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 590.12537 |
| Heavy Atoms | 40 |
| Complexity | 1433.7129 |
Chemical Identifiers
| CAS Number | 393848-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ChemDiv1_014165 (CAS 393848-46-9), with molecular formula C24H26N6O8S2 and molecular weight 590.13 g/mol. IUPAC: diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_014165
Property Insights of ChemDiv1_014165
The XLogP value of 3.10742 indicates that ChemDiv1_014165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.65 Ų indicates high polarity, suggesting ChemDiv1_014165 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014165 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014165?
The CAS number of ChemDiv1_014165 is 393848-46-9.
What is the molecular formula of ChemDiv1_014165?
The molecular formula of ChemDiv1_014165 is C24H26N6O8S2.
What is the molecular weight of ChemDiv1_014165?
The molecular weight of ChemDiv1_014165 is 590.13 g/mol.
Where can I buy ChemDiv1_014165?
You can request a quote for ChemDiv1_014165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014165?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.