BAS 07414036
TL;DR: BAS 07414036 (CAS 119771-49-2) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5'-cyano-1,2'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: BAS 07414036, ethyl 6'-amino-5'-cyano-1,2'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate, ethyl 6'-amino-5'-cyano-1,2'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, 6'-amino-5'-cyano-1,2'-dimethyl-1,3-dihydro-3'-ethoxycarbonyl-2-oxospiro[2H-indole-3,4'-(4'H)-pyran], (R)-ethyl 2'-amino-3'-cyano-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.46198 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 893.8274 |
Chemical Identifiers
| CAS Number | 119771-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)C)C#N)N)C |
Product Overview
BAS 07414036 (CAS 119771-49-2), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-1,2'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of BAS 07414036
Property Insights of BAS 07414036
The XLogP value of 1.46198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07414036. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07414036. Following Lipinski's Rule of Five, BAS 07414036 has 1 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 07414036?
The CAS number of BAS 07414036 is 119771-49-2.
What is the molecular formula of BAS 07414036?
The molecular formula of BAS 07414036 is C18H17N3O4.
What is the molecular weight of BAS 07414036?
The molecular weight of BAS 07414036 is 339.12 g/mol.
Where can I buy BAS 07414036?
You can request a quote for BAS 07414036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07414036?
Yes, KEHONG BIO provides custom synthesis services for BAS 07414036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.