BAS 00331317
TL;DR: BAS 00331317 (CAS 331003-04-4) is a chemical compound with molecular formula C18H15Br2N3S and molecular weight 462.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: BAS 00331317, 3-[(4-bromobenzyl)sulfanyl]-5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 4-allyl-3-((4-bromobenzyl)thio)-5-(3-bromophenyl)-4H-1,2,4-triazole, 4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-(3-bromophenyl)-4H-1,2,4-triazole, 3-(3-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
| Molecular Formula | C18H15Br2N3S |
|---|---|
| Molecular Weight | 462.94 g/mol |
| LogP | 5.9484 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.93533 |
| Heavy Atoms | 24 |
| Complexity | 843.72516 |
Chemical Identifiers
| CAS Number | 331003-04-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC(=CC=C3)Br |
Product Overview
BAS 00331317 (CAS 331003-04-4), with molecular formula C18H15Br2N3S and molecular weight 462.94 g/mol. IUPAC: 3-(3-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of BAS 00331317
Property Insights of BAS 00331317
The XLogP value of 5.9484 indicates that BAS 00331317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, BAS 00331317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00331317 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 BAS 00331317?
The CAS number of BAS 00331317 is 331003-04-4.
What is the molecular formula of BAS 00331317?
The molecular formula of BAS 00331317 is C18H15Br2N3S.
What is the molecular weight of BAS 00331317?
The molecular weight of BAS 00331317 is 462.94 g/mol.
Where can I buy BAS 00331317?
You can request a quote for BAS 00331317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331317?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.