BAS 01280222
TL;DR: BAS 01280222 (CAS 302326-29-0) 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.
ethyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: BAS 01280222, (S)-ethyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C17H15N3O4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.10626 |
| Heavy Atoms | 24 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 302326-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3NC2=O)C#N)N)C |
| InChIKey | HWPHSQDEVNCCQL-KRWDZBQOSA-N |
Product Overview
BAS 01280222 (CAS 302326-29-0), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: ethyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of BAS 01280222
Property Insights of BAS 01280222
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01280222. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01280222. Following Lipinski's Rule of Five, BAS 01280222 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 01280222?
The CAS number of BAS 01280222 is 302326-29-0.
What is the molecular formula of BAS 01280222?
The molecular formula of BAS 01280222 is C17H15N3O4.
What is the molecular weight of BAS 01280222?
The molecular weight of BAS 01280222 is 325.11 g/mol.
Where can I buy BAS 01280222?
You can request a quote for BAS 01280222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01280222?
Yes, KEHONG BIO provides custom synthesis services for BAS 01280222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.