A2845/0120042
TL;DR: A2845/0120042 (CAS 442671-15-0) is a chemical compound with molecular formula C26H25BrN4OS and molecular weight 520.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
Also Known As: A2845/0120042, 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide, 2-((5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylpropanamide, 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
| Molecular Formula | C26H25BrN4OS |
|---|---|
| Molecular Weight | 520.09 g/mol |
| LogP | 6.74136 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.09326 |
| Heavy Atoms | 33 |
| Complexity | 1279.9022 |
Chemical Identifiers
| CAS Number | 442671-15-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)C |
Product Overview
A2845/0120042 (CAS 442671-15-0), with molecular formula C26H25BrN4OS and molecular weight 520.09 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide.
Chemical Property Profile of A2845/0120042
Property Insights of A2845/0120042
The XLogP value of 6.74136 indicates that A2845/0120042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, A2845/0120042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2845/0120042 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2845/0120042?
The CAS number of A2845/0120042 is 442671-15-0.
What is the molecular formula of A2845/0120042?
The molecular formula of A2845/0120042 is C26H25BrN4OS.
What is the molecular weight of A2845/0120042?
The molecular weight of A2845/0120042 is 520.09 g/mol.
Where can I buy A2845/0120042?
You can request a quote for A2845/0120042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2845/0120042?
Yes, KEHONG BIO provides custom synthesis services for A2845/0120042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.