A1808/0076407
TL;DR: A1808/0076407 (CAS 312289-26-2) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: A1808/0076407, 1-(3-nitrophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(3-nitrophenyl)-2-[4-phenyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]ethan- 1-one, 1-{3-nitrophenyl}-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(3-NITROPHENYL)-2-{[5-(PHENOXYMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 4.7295 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1229.2521 |
Chemical Identifiers
| CAS Number | 312289-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])COC4=CC=CC=C4 |
Product Overview
A1808/0076407 (CAS 312289-26-2), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: 1-(3-nitrophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of A1808/0076407
Property Insights of A1808/0076407
The XLogP value of 4.7295 indicates that A1808/0076407 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for A1808/0076407. Following Lipinski's Rule of Five, A1808/0076407 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1808/0076407?
The CAS number of A1808/0076407 is 312289-26-2.
What is the molecular formula of A1808/0076407?
The molecular formula of A1808/0076407 is C23H18N4O4S.
What is the molecular weight of A1808/0076407?
The molecular weight of A1808/0076407 is 446.10 g/mol.
Where can I buy A1808/0076407?
You can request a quote for A1808/0076407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1808/0076407?
Yes, KEHONG BIO provides custom synthesis services for A1808/0076407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.