A1173/0054513
TL;DR: A1173/0054513 (CAS 311333-70-7) is a chemical compound with molecular formula C20H14BrFN4O and molecular weight 424.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: A1173/0054513, 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-4-(5-BROMO-2-FLUOROPHENYL)-3-METHYL-1-PHENYL-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE, 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole- 5-carbonitrile
| Molecular Formula | C20H14BrFN4O |
|---|---|
| Molecular Weight | 424.03 g/mol |
| LogP | 4.3005 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.0335 |
| Heavy Atoms | 27 |
| Complexity | 1115.0006 |
Chemical Identifiers
| CAS Number | 311333-70-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)F)C4=CC=CC=C4 |
Product Overview
A1173/0054513 (CAS 311333-70-7), with molecular formula C20H14BrFN4O and molecular weight 424.03 g/mol. IUPAC: 6-amino-4-(5-bromo-2-fluorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of A1173/0054513
Property Insights of A1173/0054513
The XLogP value of 4.3005 indicates that A1173/0054513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A1173/0054513. Following Lipinski's Rule of Five, A1173/0054513 has 1 hydrogen bond donor(s) and 4 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 A1173/0054513?
The CAS number of A1173/0054513 is 311333-70-7.
What is the molecular formula of A1173/0054513?
The molecular formula of A1173/0054513 is C20H14BrFN4O.
What is the molecular weight of A1173/0054513?
The molecular weight of A1173/0054513 is 424.03 g/mol.
Where can I buy A1173/0054513?
You can request a quote for A1173/0054513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1173/0054513?
Yes, KEHONG BIO provides custom synthesis services for A1173/0054513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.