F0507-3953
TL;DR: F0507-3953 (CAS 391939-03-0) is a chemical compound with molecular formula C29H26F3N5O4S and molecular weight 597.17 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-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
Also Known As: F0507-3953, N-((4-(2,6-dimethoxyphenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-(trifluoromethyl)benzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
| Molecular Formula | C29H26F3N5O4S |
|---|---|
| Molecular Weight | 597.17 g/mol |
| LogP | 4.9147 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 597.1658 |
| Heavy Atoms | 42 |
| Complexity | 1602.8053 |
Chemical Identifiers
| CAS Number | 391939-03-0 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=CC=C5C(F)(F)F |
Product Overview
F0507-3953 (CAS 391939-03-0), with molecular formula C29H26F3N5O4S and molecular weight 597.17 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of F0507-3953
Property Insights of F0507-3953
The XLogP value of 4.9147 indicates that F0507-3953 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 F0507-3953. Following Lipinski's Rule of Five, F0507-3953 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 F0507-3953?
The CAS number of F0507-3953 is 391939-03-0.
What is the molecular formula of F0507-3953?
The molecular formula of F0507-3953 is C29H26F3N5O4S.
What is the molecular weight of F0507-3953?
The molecular weight of F0507-3953 is 597.17 g/mol.
Where can I buy F0507-3953?
You can request a quote for F0507-3953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-3953?
Yes, KEHONG BIO provides custom synthesis services for F0507-3953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.