BAS 13476964
TL;DR: BAS 13476964 (CAS 696646-81-8) is a chemical compound with molecular formula C26H24N4O2 and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
Also Known As: BAS 13476964, J3.246.236G, 2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile, A3466/0146975, 1-Phenyl-2-amino-2 ,5-dioxo-5 ,7,7-trimethyl-5,6,7,8-tetrahydrospiro[quinoline-4(1H),3 -indoline]-3-carbonitrile
| Molecular Formula | C26H24N4O2 |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 4.0422 |
| Topological Polar Surface Area | 99.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 424.1899 |
| Heavy Atoms | 32 |
| Complexity | 1296.8522 |
Chemical Identifiers
| CAS Number | 696646-81-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C23C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=CC=C5)N)C#N |
Product Overview
BAS 13476964 (CAS 696646-81-8), with molecular formula C26H24N4O2 and molecular weight 424.19 g/mol. IUPAC: 2'-amino-5,7',7'-trimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.
Chemical Property Profile of BAS 13476964
Property Insights of BAS 13476964
The XLogP value of 4.0422 indicates that BAS 13476964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13476964. Following Lipinski's Rule of Five, BAS 13476964 has 2 hydrogen bond donor(s) and 5 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 13476964?
The CAS number of BAS 13476964 is 696646-81-8.
What is the molecular formula of BAS 13476964?
The molecular formula of BAS 13476964 is C26H24N4O2.
What is the molecular weight of BAS 13476964?
The molecular weight of BAS 13476964 is 424.19 g/mol.
Where can I buy BAS 13476964?
You can request a quote for BAS 13476964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13476964?
Yes, KEHONG BIO provides custom synthesis services for BAS 13476964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.