BAS 01816251
TL;DR: BAS 01816251 (CAS 444153-08-6) is a chemical compound with molecular formula C29H24BrN5OS and molecular weight 569.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-bromoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
Also Known As: BAS 01816251, 2-({5-[(4-bromoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diphenylacetamide, 2-[[5-[(4-bromoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
| Molecular Formula | C29H24BrN5OS |
|---|---|
| Molecular Weight | 569.09 g/mol |
| LogP | 7.0989 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.0885 |
| Heavy Atoms | 37 |
| Complexity | 1405.1969 |
Chemical Identifiers
| CAS Number | 444153-08-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)CNC5=CC=C(C=C5)Br |
Product Overview
BAS 01816251 (CAS 444153-08-6), with molecular formula C29H24BrN5OS and molecular weight 569.09 g/mol. IUPAC: 2-[[5-[(4-bromoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide.
Chemical Property Profile of BAS 01816251
Property Insights of BAS 01816251
The XLogP value of 7.0989 indicates that BAS 01816251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01816251. Following Lipinski's Rule of Five, BAS 01816251 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01816251?
The CAS number of BAS 01816251 is 444153-08-6.
What is the molecular formula of BAS 01816251?
The molecular formula of BAS 01816251 is C29H24BrN5OS.
What is the molecular weight of BAS 01816251?
The molecular weight of BAS 01816251 is 569.09 g/mol.
Where can I buy BAS 01816251?
You can request a quote for BAS 01816251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816251?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.