ChemDiv1_014156
TL;DR: ChemDiv1_014156 (CAS 393815-11-7) is a chemical compound with molecular formula C26H30N6O6S2 and molecular weight 586.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_014156, F0520-2451, ethyl 2-(2-((4-methyl-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(4-METHYL-5-{[(4-METHYL-3-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C26H30N6O6S2 |
|---|---|
| Molecular Weight | 586.17 g/mol |
| LogP | 4.19802 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.1668 |
| Heavy Atoms | 40 |
| Complexity | 1465.9343 |
Chemical Identifiers
| CAS Number | 393815-11-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] |
Product Overview
ChemDiv1_014156 (CAS 393815-11-7), with molecular formula C26H30N6O6S2 and molecular weight 586.17 g/mol. IUPAC: ethyl 2-[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_014156
Property Insights of ChemDiv1_014156
The XLogP value of 4.19802 indicates that ChemDiv1_014156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting ChemDiv1_014156 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014156 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014156?
The CAS number of ChemDiv1_014156 is 393815-11-7.
What is the molecular formula of ChemDiv1_014156?
The molecular formula of ChemDiv1_014156 is C26H30N6O6S2.
What is the molecular weight of ChemDiv1_014156?
The molecular weight of ChemDiv1_014156 is 586.17 g/mol.
Where can I buy ChemDiv1_014156?
You can request a quote for ChemDiv1_014156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014156?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.