RefChem:448447
TL;DR: RefChem:448447 (CAS 618441-29-5) is a chemical compound with molecular formula C25H22BrN3O3S and molecular weight 523.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: SALOR-INT L443425-1EA, 2-((4-(2-Bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone, 2-((4-(2-BROMOPHENYL)-5-((4-METHYLPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-METHOXYPHENYL)ETHANONE, 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C25H22BrN3O3S |
|---|---|
| Molecular Weight | 523.06 g/mol |
| LogP | 5.90082 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.0565 |
| Heavy Atoms | 33 |
| Complexity | 1240.7542 |
Chemical Identifiers
| CAS Number | 618441-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3Br)SCC(=O)C4=CC=C(C=C4)OC |
Product Overview
RefChem:448447 (CAS 618441-29-5), with molecular formula C25H22BrN3O3S and molecular weight 523.06 g/mol. IUPAC: 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of RefChem:448447
Property Insights of RefChem:448447
The XLogP value of 5.90082 indicates that RefChem:448447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448447. Following Lipinski's Rule of Five, RefChem:448447 has 0 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 RefChem:448447?
The CAS number of RefChem:448447 is 618441-29-5.
What is the molecular formula of RefChem:448447?
The molecular formula of RefChem:448447 is C25H22BrN3O3S.
What is the molecular weight of RefChem:448447?
The molecular weight of RefChem:448447 is 523.06 g/mol.
Where can I buy RefChem:448447?
You can request a quote for RefChem:448447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.