ChemDiv1_012467
TL;DR: ChemDiv1_012467 (CAS 309968-30-7) is a chemical compound with molecular formula C30H32N6O4S2 and molecular weight 604.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: ChemDiv1_012467, F0772-0503, N-((4-(2,5-dimethylphenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C30H32N6O4S2 |
|---|---|
| Molecular Weight | 604.19 g/mol |
| LogP | 3.74584 |
| Topological Polar Surface Area | 117.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 604.1926 |
| Heavy Atoms | 42 |
| Complexity | 1749.8617 |
Chemical Identifiers
| CAS Number | 309968-30-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N(C)C |
Product Overview
ChemDiv1_012467 (CAS 309968-30-7), with molecular formula C30H32N6O4S2 and molecular weight 604.19 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of ChemDiv1_012467
Property Insights of ChemDiv1_012467
The XLogP value of 3.74584 indicates that ChemDiv1_012467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012467. Following Lipinski's Rule of Five, ChemDiv1_012467 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012467?
The CAS number of ChemDiv1_012467 is 309968-30-7.
What is the molecular formula of ChemDiv1_012467?
The molecular formula of ChemDiv1_012467 is C30H32N6O4S2.
What is the molecular weight of ChemDiv1_012467?
The molecular weight of ChemDiv1_012467 is 604.19 g/mol.
Where can I buy ChemDiv1_012467?
You can request a quote for ChemDiv1_012467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012467?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.