A1245/0057049
TL;DR: A1245/0057049 (CAS 311321-17-2) is a chemical compound with molecular formula C25H23BrN4OS and molecular weight 506.08 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-(4-propan-2-ylphenyl)acetamide
Also Known As: A1245/0057049, 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide, 2-((5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-isopropylphenyl)acetamide, 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide, 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
| Molecular Formula | C25H23BrN4OS |
|---|---|
| Molecular Weight | 506.08 g/mol |
| LogP | 6.551 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.0776 |
| Heavy Atoms | 32 |
| Complexity | 1206.3612 |
Chemical Identifiers
| CAS Number | 311321-17-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br |
Product Overview
A1245/0057049 (CAS 311321-17-2), with molecular formula C25H23BrN4OS and molecular weight 506.08 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
Chemical Property Profile of A1245/0057049
Property Insights of A1245/0057049
The XLogP value of 6.551 indicates that A1245/0057049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, A1245/0057049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1245/0057049 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 A1245/0057049?
The CAS number of A1245/0057049 is 311321-17-2.
What is the molecular formula of A1245/0057049?
The molecular formula of A1245/0057049 is C25H23BrN4OS.
What is the molecular weight of A1245/0057049?
The molecular weight of A1245/0057049 is 506.08 g/mol.
Where can I buy A1245/0057049?
You can request a quote for A1245/0057049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1245/0057049?
Yes, KEHONG BIO provides custom synthesis services for A1245/0057049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.