F0653-0637
TL;DR: F0653-0637 (CAS 896677-34-2) is a chemical compound with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0637, N-(2-chlorobenzyl)-2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[(2-chlorophenyl)methyl]-2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[(2-chlorophenyl)methyl]-2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[(2-chlorophenyl)methyl]-2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C27H24ClN5O3S |
|---|---|
| Molecular Weight | 533.13 g/mol |
| LogP | 5.4947 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.12885 |
| Heavy Atoms | 37 |
| Complexity | 1564.9989 |
Chemical Identifiers
| CAS Number | 896677-34-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3Cl)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0637 (CAS 896677-34-2), with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0637
Property Insights of F0653-0637
The XLogP value of 5.4947 indicates that F0653-0637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0637. Following Lipinski's Rule of Five, F0653-0637 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0637?
The CAS number of F0653-0637 is 896677-34-2.
What is the molecular formula of F0653-0637?
The molecular formula of F0653-0637 is C27H24ClN5O3S.
What is the molecular weight of F0653-0637?
The molecular weight of F0653-0637 is 533.13 g/mol.
Where can I buy F0653-0637?
You can request a quote for F0653-0637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0637?
Yes, KEHONG BIO provides custom synthesis services for F0653-0637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.