BAS 01108160
TL;DR: BAS 01108160 (CAS 311333-50-3) is a chemical compound with molecular formula C17H14N4O6 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: BAS 01108160, J2.982.748F, A1171/0054458, ethyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, ethyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C17H14N4O6 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 1.34588 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.09134 |
| Heavy Atoms | 27 |
| Complexity | 1003.16626 |
Chemical Identifiers
| CAS Number | 311333-50-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C#N)N)C |
Product Overview
BAS 01108160 (CAS 311333-50-3), with molecular formula C17H14N4O6 and molecular weight 370.09 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-2'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of BAS 01108160
Property Insights of BAS 01108160
The XLogP value of 1.34588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108160. The TPSA of 157.58 Ų indicates high polarity, suggesting BAS 01108160 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01108160 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 BAS 01108160?
The CAS number of BAS 01108160 is 311333-50-3.
What is the molecular formula of BAS 01108160?
The molecular formula of BAS 01108160 is C17H14N4O6.
What is the molecular weight of BAS 01108160?
The molecular weight of BAS 01108160 is 370.09 g/mol.
Where can I buy BAS 01108160?
You can request a quote for BAS 01108160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108160?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.