ChemDiv1_014330
TL;DR: ChemDiv1_014330 (CAS 393814-59-0) is a chemical compound with molecular formula C26H31N5O7S2 and molecular weight 589.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_014330, F0520-2080, diethyl 5-(2-((5-((4-methoxybenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-{2-[(5-{[(4-METHOXYPHENYL)FORMAMIDO]METHYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C26H31N5O7S2 |
|---|---|
| Molecular Weight | 589.17 g/mol |
| LogP | 3.59632 |
| Topological Polar Surface Area | 150.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 589.1665 |
| Heavy Atoms | 40 |
| Complexity | 1384.7251 |
Chemical Identifiers
| CAS Number | 393814-59-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_014330 (CAS 393814-59-0), with molecular formula C26H31N5O7S2 and molecular weight 589.17 g/mol. IUPAC: diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_014330
Property Insights of ChemDiv1_014330
The XLogP value of 3.59632 indicates that ChemDiv1_014330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.74 Ų indicates high polarity, suggesting ChemDiv1_014330 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014330 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014330?
The CAS number of ChemDiv1_014330 is 393814-59-0.
What is the molecular formula of ChemDiv1_014330?
The molecular formula of ChemDiv1_014330 is C26H31N5O7S2.
What is the molecular weight of ChemDiv1_014330?
The molecular weight of ChemDiv1_014330 is 589.17 g/mol.
Where can I buy ChemDiv1_014330?
You can request a quote for ChemDiv1_014330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014330?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.