BAS 00068986
TL;DR: BAS 00068986 (CAS 79552-01-5) is a chemical compound with molecular formula C32H42N2O2 and molecular weight 486.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(1-butanoyl-2,2,4-trimethyl-3H-quinolin-4-yl)-2,2,4-trimethylquinolin-1-yl]butan-1-one
Also Known As: BAS 00068986, 1,1'-dibutyryl-2,2,2',2',4,4'-hexamethyl-1,1',2,2',3,4-hexahydro-4,6'-biquinoline, 1,1'-(2,2,2',2',4,4'-hexamethyl-3,4-dihydro-[4,6'-biquinoline]-1,1'(2H,2'H)-diyl)bis(butan-1-one), 1,1'-(2,2,2',2',4,4'-hexamethyl-3,4-dihydro-4,6'-biquinoline-1,1'(2H,2'H)-diyl)dibutan-1-one, 1-[4-(1-butanoyl-2,2,4-trimethyl(6-1,2-dihydroquinolyl))-2,2,4-trimethyl-1,2,3 ,4-tetrahydroquinolyl]butan-1-one
| Molecular Formula | C32H42N2O2 |
|---|---|
| Molecular Weight | 486.32 g/mol |
| LogP | 7.6366 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.32462 |
| Heavy Atoms | 36 |
| Complexity | 1222.4115 |
Chemical Identifiers
| CAS Number | 79552-01-5 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2)C3(CC(N(C4=CC=CC=C43)C(=O)CCC)(C)C)C)C(=CC1(C)C)C |
Product Overview
BAS 00068986 (CAS 79552-01-5), with molecular formula C32H42N2O2 and molecular weight 486.32 g/mol. IUPAC: 1-[6-(1-butanoyl-2,2,4-trimethyl-3H-quinolin-4-yl)-2,2,4-trimethylquinolin-1-yl]butan-1-one.
Chemical Property Profile of BAS 00068986
Property Insights of BAS 00068986
The XLogP value of 7.6366 indicates that BAS 00068986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, BAS 00068986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00068986 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00068986?
The CAS number of BAS 00068986 is 79552-01-5.
What is the molecular formula of BAS 00068986?
The molecular formula of BAS 00068986 is C32H42N2O2.
What is the molecular weight of BAS 00068986?
The molecular weight of BAS 00068986 is 486.32 g/mol.
Where can I buy BAS 00068986?
You can request a quote for BAS 00068986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00068986?
Yes, KEHONG BIO provides custom synthesis services for BAS 00068986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.