ChemDiv1_012472
TL;DR: ChemDiv1_012472 (CAS 393783-07-8) is a chemical compound with molecular formula C31H28N6O3S2 and molecular weight 596.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-benzyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_012472, F0514-4850, N-((4-benzyl-5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-{[4-benzyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-[[4-benzyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C31H28N6O3S2 |
|---|---|
| Molecular Weight | 596.17 g/mol |
| LogP | 5.68932 |
| Topological Polar Surface Area | 105.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 596.16644 |
| Heavy Atoms | 42 |
| Complexity | 1680.3661 |
Chemical Identifiers
| CAS Number | 393783-07-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CO5)C6=CC=CS6 |
Product Overview
ChemDiv1_012472 (CAS 393783-07-8), with molecular formula C31H28N6O3S2 and molecular weight 596.17 g/mol. IUPAC: N-[[4-benzyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_012472
Property Insights of ChemDiv1_012472
The XLogP value of 5.68932 indicates that ChemDiv1_012472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012472. Following Lipinski's Rule of Five, ChemDiv1_012472 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012472?
The CAS number of ChemDiv1_012472 is 393783-07-8.
What is the molecular formula of ChemDiv1_012472?
The molecular formula of ChemDiv1_012472 is C31H28N6O3S2.
What is the molecular weight of ChemDiv1_012472?
The molecular weight of ChemDiv1_012472 is 596.17 g/mol.
Where can I buy ChemDiv1_012472?
You can request a quote for ChemDiv1_012472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012472?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.