ChemDiv1_012335
TL;DR: ChemDiv1_012335 (CAS 309968-16-9) is a chemical compound with molecular formula C29H29N5O5S and molecular weight 559.19 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-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
Also Known As: ChemDiv1_012335, F0772-0131, N-((4-(2,5-dimethoxyphenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
| Molecular Formula | C29H29N5O5S |
|---|---|
| Molecular Weight | 559.19 g/mol |
| LogP | 3.9045 |
| Topological Polar Surface Area | 107.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 559.18896 |
| Heavy Atoms | 40 |
| Complexity | 1538.996 |
Chemical Identifiers
| CAS Number | 309968-16-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=CC=C5OC |
Product Overview
ChemDiv1_012335 (CAS 309968-16-9), with molecular formula C29H29N5O5S and molecular weight 559.19 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide.
Chemical Property Profile of ChemDiv1_012335
Property Insights of ChemDiv1_012335
The XLogP value of 3.9045 indicates that ChemDiv1_012335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012335. Following Lipinski's Rule of Five, ChemDiv1_012335 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_012335?
The CAS number of ChemDiv1_012335 is 309968-16-9.
What is the molecular formula of ChemDiv1_012335?
The molecular formula of ChemDiv1_012335 is C29H29N5O5S.
What is the molecular weight of ChemDiv1_012335?
The molecular weight of ChemDiv1_012335 is 559.19 g/mol.
Where can I buy ChemDiv1_012335?
You can request a quote for ChemDiv1_012335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012335?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.