ChemDiv1_017808
TL;DR: ChemDiv1_017808 (CAS 296879-57-7) is a chemical compound with molecular formula C20H12BrN5O2 and molecular weight 433.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-5-bromo-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Also Known As: ChemDiv1_017808, J3.017.552B, A2022/0084847, 6'-AMINO-5-BROMO-2-OXO-3'-PHENYL-1,2-DIHYDRO-1'H-SPIRO[INDOLE-3,4'-PYRANO[2,3-C]PYRAZOLE]-5'-CARBONITRILE, 6 -Amino-5-bromo-5 -cyano-3 -phenylspiro[indoline-3,4 (1 H)-pyrano[2,3-c]pyrazole]-2-one
| Molecular Formula | C20H12BrN5O2 |
|---|---|
| Molecular Weight | 433.02 g/mol |
| LogP | 3.16368 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 433.01743 |
| Heavy Atoms | 28 |
| Complexity | 1225.1382 |
Chemical Identifiers
| CAS Number | 296879-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C(=NN2)OC(=C(C34C5=C(C=CC(=C5)Br)NC4=O)C#N)N |
Product Overview
ChemDiv1_017808 (CAS 296879-57-7), with molecular formula C20H12BrN5O2 and molecular weight 433.02 g/mol. IUPAC: 6'-amino-5-bromo-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
Chemical Property Profile of ChemDiv1_017808
Property Insights of ChemDiv1_017808
The XLogP value of 3.16368 indicates that ChemDiv1_017808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017808. Following Lipinski's Rule of Five, ChemDiv1_017808 has 3 hydrogen bond donor(s) and 5 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 ChemDiv1_017808?
The CAS number of ChemDiv1_017808 is 296879-57-7.
What is the molecular formula of ChemDiv1_017808?
The molecular formula of ChemDiv1_017808 is C20H12BrN5O2.
What is the molecular weight of ChemDiv1_017808?
The molecular weight of ChemDiv1_017808 is 433.02 g/mol.
Where can I buy ChemDiv1_017808?
You can request a quote for ChemDiv1_017808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017808?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.