A1808/0076394
TL;DR: A1808/0076394 (CAS 312289-16-0) is a chemical compound with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: A1808/0076394, 1-(4-ethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-ethylphenyl)-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-ethylphenyl)-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-ETHYLPHENYL)-2-{[5-(FURAN-2-YL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C22H19N3O2S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 5.0647 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1198 |
| Heavy Atoms | 28 |
| Complexity | 1055.1321 |
Chemical Identifiers
| CAS Number | 312289-16-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 |
Product Overview
A1808/0076394 (CAS 312289-16-0), with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol. IUPAC: 1-(4-ethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of A1808/0076394
Property Insights of A1808/0076394
The XLogP value of 5.0647 indicates that A1808/0076394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A1808/0076394. Following Lipinski's Rule of Five, A1808/0076394 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1808/0076394?
The CAS number of A1808/0076394 is 312289-16-0.
What is the molecular formula of A1808/0076394?
The molecular formula of A1808/0076394 is C22H19N3O2S.
What is the molecular weight of A1808/0076394?
The molecular weight of A1808/0076394 is 389.12 g/mol.
Where can I buy A1808/0076394?
You can request a quote for A1808/0076394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1808/0076394?
Yes, KEHONG BIO provides custom synthesis services for A1808/0076394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.