BAS 00666756
TL;DR: BAS 00666756 (CAS 331950-46-0) is a chemical compound with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Also Known As: BAS 00666756, J2.809.046C, AB00075107-01, 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
| Molecular Formula | C17H11N3O4 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.07495 |
| Heavy Atoms | 24 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 331950-46-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)O1)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N |
| InChIKey | PRJYKASGDBMYNQ-UHFFFAOYSA-N |
Product Overview
BAS 00666756 (CAS 331950-46-0), with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol. IUPAC: 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
Chemical Property Profile of BAS 00666756
Property Insights of BAS 00666756
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00666756. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666756. Following Lipinski's Rule of Five, BAS 00666756 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 00666756?
The CAS number of BAS 00666756 is 331950-46-0.
What is the molecular formula of BAS 00666756?
The molecular formula of BAS 00666756 is C17H11N3O4.
What is the molecular weight of BAS 00666756?
The molecular weight of BAS 00666756 is 321.07 g/mol.
Where can I buy BAS 00666756?
You can request a quote for BAS 00666756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666756?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.