A3955/0168526
TL;DR: A3955/0168526 (CAS 889963-34-2) is a chemical compound with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
Also Known As: A3955/0168526, 2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenoxyethyl)acetamide, 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide, 2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)-N-(2-phenoxyethyl)acetamide
| Molecular Formula | C26H24N4O5S |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 3.8623 |
| Topological Polar Surface Area | 96.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 504.14673 |
| Heavy Atoms | 36 |
| Complexity | 1300.4546 |
Chemical Identifiers
| CAS Number | 889963-34-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCCOC5=CC=CC=C5 |
Product Overview
A3955/0168526 (CAS 889963-34-2), with molecular formula C26H24N4O5S and molecular weight 504.15 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide.
Chemical Property Profile of A3955/0168526
Property Insights of A3955/0168526
The XLogP value of 3.8623 indicates that A3955/0168526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.73 Ų falls within the moderate polarity range, balancing permeability and solubility for A3955/0168526. Following Lipinski's Rule of Five, A3955/0168526 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 A3955/0168526?
The CAS number of A3955/0168526 is 889963-34-2.
What is the molecular formula of A3955/0168526?
The molecular formula of A3955/0168526 is C26H24N4O5S.
What is the molecular weight of A3955/0168526?
The molecular weight of A3955/0168526 is 504.15 g/mol.
Where can I buy A3955/0168526?
You can request a quote for A3955/0168526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3955/0168526?
Yes, KEHONG BIO provides custom synthesis services for A3955/0168526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.