BAS 12290961
TL;DR: BAS 12290961 (CAS 777871-97-3) is a chemical compound with molecular formula C19H13N3O5 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2'-amino-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Also Known As: BAS 12290961, 1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, 1-ACETYL-2'-AMINO-7'-METHYL-2,5'-DIOXO-1,2-DIHYDRO-5'H-SPIRO[INDOLE-3,4'-PYRANO[3,2-C]PYRAN]-3'-CARBONITRILE, 1-acetyl-2'-amino-7'-methyl-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, 1-acetyl-2'-amino-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
| Molecular Formula | C19H13N3O5 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.0855 |
| Heavy Atoms | 27 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 777871-97-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4N(C3=O)C(=O)C)C(=C(O2)N)C#N |
| InChIKey | AJQQANMDVBMWRE-UHFFFAOYSA-N |
Product Overview
BAS 12290961 (CAS 777871-97-3), with molecular formula C19H13N3O5 and molecular weight 363.09 g/mol. IUPAC: 1-acetyl-2'-amino-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
Chemical Property Profile of BAS 12290961
Property Insights of BAS 12290961
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290961. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290961. Following Lipinski's Rule of Five, BAS 12290961 has 1 hydrogen bond donor(s) and 7 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 12290961?
The CAS number of BAS 12290961 is 777871-97-3.
What is the molecular formula of BAS 12290961?
The molecular formula of BAS 12290961 is C19H13N3O5.
What is the molecular weight of BAS 12290961?
The molecular weight of BAS 12290961 is 363.09 g/mol.
Where can I buy BAS 12290961?
You can request a quote for BAS 12290961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290961?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.