BAS 01122796
TL;DR: BAS 01122796 (CAS 300586-26-9) is a chemical compound with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: BAS 01122796, A1680/0071725, methyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, methyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C17H15N3O4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 1.356 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.10626 |
| Heavy Atoms | 24 |
| Complexity | 891.587 |
Chemical Identifiers
| CAS Number | 300586-26-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C23C(=C(OC(=C3C(=O)OC)C)N)C#N |
Product Overview
BAS 01122796 (CAS 300586-26-9), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: methyl 6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of BAS 01122796
Property Insights of BAS 01122796
The XLogP value of 1.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122796. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122796. Following Lipinski's Rule of Five, BAS 01122796 has 2 hydrogen bond donor(s) and 6 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 01122796?
The CAS number of BAS 01122796 is 300586-26-9.
What is the molecular formula of BAS 01122796?
The molecular formula of BAS 01122796 is C17H15N3O4.
What is the molecular weight of BAS 01122796?
The molecular weight of BAS 01122796 is 325.11 g/mol.
Where can I buy BAS 01122796?
You can request a quote for BAS 01122796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122796?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.