A4078/0173767
TL;DR: A4078/0173767 (CAS 893767-48-1) is a chemical compound with molecular formula C31H26N4O5S2 and molecular weight 598.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: A4078/0173767, 1-(1,3-benzodioxol-5-yl)-2-({5-[1-(naphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(1,3-benzodioxol-5-yl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(1,3-benzodioxol-5-yl)-2-({5-[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)ethanone, 1-(2H-1,3-BENZODIOXOL-5-YL)-2-({5-[1-(NAPHTHALENE-2-SULFONYL)PYRROLIDIN-2-YL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)ETHAN-1-ONE
| Molecular Formula | C31H26N4O5S2 |
|---|---|
| Molecular Weight | 598.13 g/mol |
| LogP | 5.65 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.13446 |
| Heavy Atoms | 42 |
| Complexity | 1909.6012 |
Chemical Identifiers
| CAS Number | 893767-48-1 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC7=C(C=C6)OCO7 |
Product Overview
A4078/0173767 (CAS 893767-48-1), with molecular formula C31H26N4O5S2 and molecular weight 598.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[5-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of A4078/0173767
Property Insights of A4078/0173767
The XLogP value of 5.65 indicates that A4078/0173767 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A4078/0173767. Following Lipinski's Rule of Five, A4078/0173767 has 0 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 A4078/0173767?
The CAS number of A4078/0173767 is 893767-48-1.
What is the molecular formula of A4078/0173767?
The molecular formula of A4078/0173767 is C31H26N4O5S2.
What is the molecular weight of A4078/0173767?
The molecular weight of A4078/0173767 is 598.13 g/mol.
Where can I buy A4078/0173767?
You can request a quote for A4078/0173767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4078/0173767?
Yes, KEHONG BIO provides custom synthesis services for A4078/0173767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.