A1869/0078604
TL;DR: A1869/0078604 (CAS 312320-95-9) is a chemical compound with molecular formula C25H22N4O3S2 and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: A1869/0078604, (E)-4-(((5-((6-ethoxybenzo[d]thiazol-2-yl)thio)furan-2-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[({5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-furyl}methylene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(E)-({5-[(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)SULFANYL]FURAN-2-YL}METHYLIDENE)AMINO]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE, 4-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C25H22N4O3S2 |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 5.98762 |
| Topological Polar Surface Area | 74.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.11334 |
| Heavy Atoms | 34 |
| Complexity | 1543.693 |
Chemical Identifiers
| CAS Number | 312320-95-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(O3)C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
A1869/0078604 (CAS 312320-95-9), with molecular formula C25H22N4O3S2 and molecular weight 490.11 g/mol. IUPAC: 4-[[5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of A1869/0078604
Property Insights of A1869/0078604
The XLogP value of 5.98762 indicates that A1869/0078604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.55 Ų falls within the moderate polarity range, balancing permeability and solubility for A1869/0078604. Following Lipinski's Rule of Five, A1869/0078604 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1869/0078604?
The CAS number of A1869/0078604 is 312320-95-9.
What is the molecular formula of A1869/0078604?
The molecular formula of A1869/0078604 is C25H22N4O3S2.
What is the molecular weight of A1869/0078604?
The molecular weight of A1869/0078604 is 490.11 g/mol.
Where can I buy A1869/0078604?
You can request a quote for A1869/0078604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1869/0078604?
Yes, KEHONG BIO provides custom synthesis services for A1869/0078604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.