BAS 13476868
TL;DR: BAS 13476868 (CAS 696633-91-7) is a chemical compound with molecular formula C24H21N5O2 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-pyridin-3-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
Also Known As: BAS 13476868, A3435/0145760, 2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-(pyridin-3-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile, 2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-(pyridin-3-yl)-5',6',7',8'-tetrahydro-1'H-spiro[indoline-3,4'-quinoline]-3'-carbonitrile, 2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-pyridin-3-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
| Molecular Formula | C24H21N5O2 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.12878 |
| Topological Polar Surface Area | 112.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.16953 |
| Heavy Atoms | 31 |
| Complexity | 1252.2308 |
Chemical Identifiers
| CAS Number | 696633-91-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4NC3=O)C(=C(N2C5=CN=CC=C5)N)C#N)C |
Product Overview
BAS 13476868 (CAS 696633-91-7), with molecular formula C24H21N5O2 and molecular weight 411.17 g/mol. IUPAC: 2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-pyridin-3-ylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.
Chemical Property Profile of BAS 13476868
Property Insights of BAS 13476868
The XLogP value of 3.12878 indicates that BAS 13476868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13476868. Following Lipinski's Rule of Five, BAS 13476868 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 13476868?
The CAS number of BAS 13476868 is 696633-91-7.
What is the molecular formula of BAS 13476868?
The molecular formula of BAS 13476868 is C24H21N5O2.
What is the molecular weight of BAS 13476868?
The molecular weight of BAS 13476868 is 411.17 g/mol.
Where can I buy BAS 13476868?
You can request a quote for BAS 13476868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13476868?
Yes, KEHONG BIO provides custom synthesis services for BAS 13476868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.