ChemDiv1_011021
TL;DR: ChemDiv1_011021 (CAS 300588-88-9) is a chemical compound with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-acetyl-2'-amino-6'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile
Also Known As: ChemDiv1_011021, A1171/0054461, 5'-acetyl-2'-amino-6'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile, 5'-acetyl-2'-amino-6'-methyl-5-nitro-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile, 3'-acetyl-6'-amino-2'-methyl-5-nitro-2-oxospiro[indoline-3,4'-pyran]-5'-carbonitrile
| Molecular Formula | C16H12N4O5 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.37178 |
| Topological Polar Surface Area | 148.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.08078 |
| Heavy Atoms | 25 |
| Complexity | 969.2274 |
Chemical Identifiers
| CAS Number | 300588-88-9 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(=C(O1)N)C#N)C(=O)C |
Product Overview
ChemDiv1_011021 (CAS 300588-88-9), with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol. IUPAC: 5'-acetyl-2'-amino-6'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile.
Chemical Property Profile of ChemDiv1_011021
Property Insights of ChemDiv1_011021
The XLogP value of 1.37178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011021. The TPSA of 148.35 Ų indicates high polarity, suggesting ChemDiv1_011021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_011021 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 ChemDiv1_011021?
The CAS number of ChemDiv1_011021 is 300588-88-9.
What is the molecular formula of ChemDiv1_011021?
The molecular formula of ChemDiv1_011021 is C16H12N4O5.
What is the molecular weight of ChemDiv1_011021?
The molecular weight of ChemDiv1_011021 is 340.08 g/mol.
Where can I buy ChemDiv1_011021?
You can request a quote for ChemDiv1_011021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011021?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.