C18H15BrClN3S
TL;DR: C18H15BrClN3S (CAS 848992-99-4) is a chemical compound with molecular formula C18H15BrClN3S and molecular weight 418.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole, 4-allyl-3-((4-bromobenzyl)thio)-5-(4-chlorophenyl)-4H-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C18H15BrClN3S |
|---|---|
| Molecular Weight | 418.99 g/mol |
| LogP | 5.8393 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.98587 |
| Heavy Atoms | 24 |
| Complexity | 828.47516 |
Chemical Identifiers
| CAS Number | 848992-99-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl |
Product Overview
C18H15BrClN3S (CAS 848992-99-4), with molecular formula C18H15BrClN3S and molecular weight 418.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of C18H15BrClN3S
Property Insights of C18H15BrClN3S
The XLogP value of 5.8393 indicates that C18H15BrClN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, C18H15BrClN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H15BrClN3S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H15BrClN3S?
The CAS number of C18H15BrClN3S is 848992-99-4.
What is the molecular formula of C18H15BrClN3S?
The molecular formula of C18H15BrClN3S is C18H15BrClN3S.
What is the molecular weight of C18H15BrClN3S?
The molecular weight of C18H15BrClN3S is 418.99 g/mol.
Where can I buy C18H15BrClN3S?
You can request a quote for C18H15BrClN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H15BrClN3S?
Yes, KEHONG BIO provides custom synthesis services for C18H15BrClN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.