ChemDiv1_002316
TL;DR: ChemDiv1_002316 (CAS 304870-90-4) is a chemical compound with molecular formula C16H12N4O6 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002316, A1171/0054459, methyl 2'-amino-3'-cyano-6'-methyl-5-nitro-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, methyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C16H12N4O6 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 0.95578 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.07568 |
| Heavy Atoms | 26 |
| Complexity | 986.9444 |
Chemical Identifiers
| CAS Number | 304870-90-4 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(=C(O1)N)C#N)C(=O)OC |
Product Overview
ChemDiv1_002316 (CAS 304870-90-4), with molecular formula C16H12N4O6 and molecular weight 356.08 g/mol. IUPAC: methyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002316
Property Insights of ChemDiv1_002316
The XLogP value of 0.95578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002316. The TPSA of 157.58 Ų indicates high polarity, suggesting ChemDiv1_002316 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_002316 has 2 hydrogen bond donor(s) and 8 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_002316?
The CAS number of ChemDiv1_002316 is 304870-90-4.
What is the molecular formula of ChemDiv1_002316?
The molecular formula of ChemDiv1_002316 is C16H12N4O6.
What is the molecular weight of ChemDiv1_002316?
The molecular weight of ChemDiv1_002316 is 356.08 g/mol.
Where can I buy ChemDiv1_002316?
You can request a quote for ChemDiv1_002316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002316?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.