J3.173.655B
TL;DR: J3.173.655B (CAS 654069-76-8) is a chemical compound with molecular formula C21H14N6O4 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-3'-methyl-5-nitro-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
Also Known As: J3.173.655B, 6'-amino-3'-methyl-5-nitro-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 1-Phenyl-2 -oxo-3-methyl-5 -nitro-6-aminospiro[pyrano[2,3-c]pyrazole-4(1H),3 -indoline]-5-carbonitrile, 6'-amino-3'-methyl-5-nitro-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-3'-methyl-5-nitro-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
| Molecular Formula | C21H14N6O4 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 2.4134 |
| Topological Polar Surface Area | 149.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.10767 |
| Heavy Atoms | 31 |
| Complexity | 1368.4971 |
Chemical Identifiers
| CAS Number | 654069-76-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C(=C(O2)N)C#N)C5=CC=CC=C5 |
Product Overview
J3.173.655B (CAS 654069-76-8), with molecular formula C21H14N6O4 and molecular weight 414.11 g/mol. IUPAC: 6'-amino-3'-methyl-5-nitro-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
Chemical Property Profile of J3.173.655B
Property Insights of J3.173.655B
The XLogP value of 2.4134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.173.655B. The TPSA of 149.1 Ų indicates high polarity, suggesting J3.173.655B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J3.173.655B has 2 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 J3.173.655B?
The CAS number of J3.173.655B is 654069-76-8.
What is the molecular formula of J3.173.655B?
The molecular formula of J3.173.655B is C21H14N6O4.
What is the molecular weight of J3.173.655B?
The molecular weight of J3.173.655B is 414.11 g/mol.
Where can I buy J3.173.655B?
You can request a quote for J3.173.655B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.173.655B?
Yes, KEHONG BIO provides custom synthesis services for J3.173.655B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.