BAS 01842658
TL;DR: BAS 01842658 (CAS 332912-69-3) is a chemical compound with molecular formula C25H23N5O5S and molecular weight 505.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Also Known As: BAS 01842658, 2-((5-((4-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methyl-3-nitrophenyl)acetamide, 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide, 2-[5-(4-Methoxy-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
| Molecular Formula | C25H23N5O5S |
|---|---|
| Molecular Weight | 505.14 g/mol |
| LogP | 4.80232 |
| Topological Polar Surface Area | 121.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.142 |
| Heavy Atoms | 36 |
| Complexity | 1359.2799 |
Chemical Identifiers
| CAS Number | 332912-69-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC)[N+](=O)[O-] |
Product Overview
BAS 01842658 (CAS 332912-69-3), with molecular formula C25H23N5O5S and molecular weight 505.14 g/mol. IUPAC: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01842658
Property Insights of BAS 01842658
The XLogP value of 4.80232 indicates that BAS 01842658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01842658. Following Lipinski's Rule of Five, BAS 01842658 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01842658?
The CAS number of BAS 01842658 is 332912-69-3.
What is the molecular formula of BAS 01842658?
The molecular formula of BAS 01842658 is C25H23N5O5S.
What is the molecular weight of BAS 01842658?
The molecular weight of BAS 01842658 is 505.14 g/mol.
Where can I buy BAS 01842658?
You can request a quote for BAS 01842658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01842658?
Yes, KEHONG BIO provides custom synthesis services for BAS 01842658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.