A2394/0101345
TL;DR: A2394/0101345 (CAS 361464-53-1) is a chemical compound with molecular formula C26H23N5O3S and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone
Also Known As: A2394/0101345, [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone, {4-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}(pyrrolidin-1-yl)methanone, 3-BENZYL-5-{[2-NITRO-4-(PYRROLIDINE-1-CARBONYL)PHENYL]SULFANYL}-4-PHENYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C26H23N5O3S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 5.1535 |
| Topological Polar Surface Area | 94.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.15216 |
| Heavy Atoms | 35 |
| Complexity | 1352.1821 |
Chemical Identifiers
| CAS Number | 361464-53-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
A2394/0101345 (CAS 361464-53-1), with molecular formula C26H23N5O3S and molecular weight 485.15 g/mol. IUPAC: [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of A2394/0101345
Property Insights of A2394/0101345
The XLogP value of 5.1535 indicates that A2394/0101345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A2394/0101345. Following Lipinski's Rule of Five, A2394/0101345 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2394/0101345?
The CAS number of A2394/0101345 is 361464-53-1.
What is the molecular formula of A2394/0101345?
The molecular formula of A2394/0101345 is C26H23N5O3S.
What is the molecular weight of A2394/0101345?
The molecular weight of A2394/0101345 is 485.15 g/mol.
Where can I buy A2394/0101345?
You can request a quote for A2394/0101345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2394/0101345?
Yes, KEHONG BIO provides custom synthesis services for A2394/0101345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.