ChemDiv1_012597
TL;DR: ChemDiv1_012597 (CAS 310449-44-6) is a chemical compound with molecular formula C25H23N5O3S2 and molecular weight 505.12 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-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: ChemDiv1_012597, F0721-1045, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide, N-[(5-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-4-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)METHYL]THIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C25H23N5O3S2 |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 3.9488 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.12424 |
| Heavy Atoms | 35 |
| Complexity | 1352.9084 |
Chemical Identifiers
| CAS Number | 310449-44-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=CS5 |
Product Overview
ChemDiv1_012597 (CAS 310449-44-6), with molecular formula C25H23N5O3S2 and molecular weight 505.12 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_012597
Property Insights of ChemDiv1_012597
The XLogP value of 3.9488 indicates that ChemDiv1_012597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012597. Following Lipinski's Rule of Five, ChemDiv1_012597 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_012597?
The CAS number of ChemDiv1_012597 is 310449-44-6.
What is the molecular formula of ChemDiv1_012597?
The molecular formula of ChemDiv1_012597 is C25H23N5O3S2.
What is the molecular weight of ChemDiv1_012597?
The molecular weight of ChemDiv1_012597 is 505.12 g/mol.
Where can I buy ChemDiv1_012597?
You can request a quote for ChemDiv1_012597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012597?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.