ChemDiv1_012509
TL;DR: ChemDiv1_012509 (CAS 310449-29-7) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 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]-2-phenoxyacetamide
Also Known As: ChemDiv1_012509, F0721-0979, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 3.6525 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1425.7834 |
Chemical Identifiers
| CAS Number | 310449-29-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)COC5=CC=CC=C5 |
Product Overview
ChemDiv1_012509 (CAS 310449-29-7), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of ChemDiv1_012509
Property Insights of ChemDiv1_012509
The XLogP value of 3.6525 indicates that ChemDiv1_012509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012509. Following Lipinski's Rule of Five, ChemDiv1_012509 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_012509?
The CAS number of ChemDiv1_012509 is 310449-29-7.
What is the molecular formula of ChemDiv1_012509?
The molecular formula of ChemDiv1_012509 is C28H27N5O4S.
What is the molecular weight of ChemDiv1_012509?
The molecular weight of ChemDiv1_012509 is 529.18 g/mol.
Where can I buy ChemDiv1_012509?
You can request a quote for ChemDiv1_012509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012509?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.