RefChem:448665
TL;DR: RefChem:448665 (CAS 618441-21-7) is a chemical compound with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 2-({4-ALLYL-5-[(4-METHOXYPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-1-(4-BROMOPHENYL)ETHANONE, 1-(4-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 2-((4-ALLYL-5-((4-METHOXYPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-BROMOPHENYL)ETHANONE, 2-((4-Allyl-5-((4-methoxyphenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-bromophenyl)ethanone, 644-787-4
| Molecular Formula | C21H20BrN3O3S |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 4.7892 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.0409 |
| Heavy Atoms | 29 |
| Complexity | 971.8413 |
Chemical Identifiers
| CAS Number | 618441-21-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
RefChem:448665 (CAS 618441-21-7), with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of RefChem:448665
Property Insights of RefChem:448665
The XLogP value of 4.7892 indicates that RefChem:448665 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:448665. Following Lipinski's Rule of Five, RefChem:448665 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448665?
The CAS number of RefChem:448665 is 618441-21-7.
What is the molecular formula of RefChem:448665?
The molecular formula of RefChem:448665 is C21H20BrN3O3S.
What is the molecular weight of RefChem:448665?
The molecular weight of RefChem:448665 is 473.04 g/mol.
Where can I buy RefChem:448665?
You can request a quote for RefChem:448665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448665?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.