ChemDiv1_014194
TL;DR: ChemDiv1_014194 (CAS 393806-50-3) is a chemical compound with molecular formula C28H29N5O5S2 and molecular weight 579.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[(furan-2-carbonylamino)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_014194, F0520-1326, ethyl 2-(2-((5-((furan-2-carboxamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[5-[(furan-2-carbonylamino)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(5-{[(FURAN-2-YL)FORMAMIDO]METHYL}-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H29N5O5S2 |
|---|---|
| Molecular Weight | 579.16 g/mol |
| LogP | 4.94652 |
| Topological Polar Surface Area | 128.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 579.161 |
| Heavy Atoms | 40 |
| Complexity | 1525.8356 |
Chemical Identifiers
| CAS Number | 393806-50-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=CC=CO5 |
Product Overview
ChemDiv1_014194 (CAS 393806-50-3), with molecular formula C28H29N5O5S2 and molecular weight 579.16 g/mol. IUPAC: ethyl 2-[[2-[[5-[(furan-2-carbonylamino)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_014194
Property Insights of ChemDiv1_014194
The XLogP value of 4.94652 indicates that ChemDiv1_014194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014194. Following Lipinski's Rule of Five, ChemDiv1_014194 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014194?
The CAS number of ChemDiv1_014194 is 393806-50-3.
What is the molecular formula of ChemDiv1_014194?
The molecular formula of ChemDiv1_014194 is C28H29N5O5S2.
What is the molecular weight of ChemDiv1_014194?
The molecular weight of ChemDiv1_014194 is 579.16 g/mol.
Where can I buy ChemDiv1_014194?
You can request a quote for ChemDiv1_014194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014194?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.