C331-1844
TL;DR: C331-1844 (CAS 865657-53-0) is a chemical compound with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
Also Known As: C331-1844, F1601-0319, N-(2H-1,3-BENZODIOXOL-5-YL)-2-{[2-(3-METHOXYPHENYL)-5-PHENYL-1H-IMIDAZOL-4-YL]SULFANYL}ACETAMIDE, N-(1,3-benzodioxol-5-yl)-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide, N-1,3-benzodioxol-5-yl-2-{[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]thio}acetamide
| Molecular Formula | C25H21N3O4S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 5.2118 |
| Topological Polar Surface Area | 85.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.12527 |
| Heavy Atoms | 33 |
| Complexity | 1290.069 |
Chemical Identifiers
| CAS Number | 865657-53-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NC(=C(N2)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
C331-1844 (CAS 865657-53-0), with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide.
Chemical Property Profile of C331-1844
Property Insights of C331-1844
The XLogP value of 5.2118 indicates that C331-1844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.47 Ų falls within the moderate polarity range, balancing permeability and solubility for C331-1844. Following Lipinski's Rule of Five, C331-1844 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 C331-1844?
The CAS number of C331-1844 is 865657-53-0.
What is the molecular formula of C331-1844?
The molecular formula of C331-1844 is C25H21N3O4S.
What is the molecular weight of C331-1844?
The molecular weight of C331-1844 is 459.13 g/mol.
Where can I buy C331-1844?
You can request a quote for C331-1844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C331-1844?
Yes, KEHONG BIO provides custom synthesis services for C331-1844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.