BAS 12290945
TL;DR: BAS 12290945 (CAS 777871-77-9) is a chemical compound with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
Also Known As: BAS 12290945, 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile, 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile, 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile, 2-amino-7-(4-methoxyphenyl)-11-methyl-5,12-dioxospiro[4H-6,7,8-trihydrochromen e-4,3'-indoline]-3-carbonitrile
| Molecular Formula | C25H21N3O4 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.03428 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.1532 |
| Heavy Atoms | 32 |
| Complexity | 1268.8374 |
Chemical Identifiers
| CAS Number | 777871-77-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)CC(C4)C5=CC=C(C=C5)OC)N)C#N |
Product Overview
BAS 12290945 (CAS 777871-77-9), with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol. IUPAC: 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile.
Chemical Property Profile of BAS 12290945
Property Insights of BAS 12290945
The XLogP value of 3.03428 indicates that BAS 12290945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290945. Following Lipinski's Rule of Five, BAS 12290945 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 12290945?
The CAS number of BAS 12290945 is 777871-77-9.
What is the molecular formula of BAS 12290945?
The molecular formula of BAS 12290945 is C25H21N3O4.
What is the molecular weight of BAS 12290945?
The molecular weight of BAS 12290945 is 427.15 g/mol.
Where can I buy BAS 12290945?
You can request a quote for BAS 12290945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290945?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.