BAS 00351125
TL;DR: BAS 00351125 (CAS 331254-70-7) is a chemical compound with molecular formula C45H40N2O3 and molecular weight 656.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]methanone
Also Known As: BAS 00351125, (4-nitrophenyl)-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]methanone, 1-({4-nitrophenyl}carbonyl)-2,2,4-trimethyl-4-(4-methylphenyl)-6-(triphenylmethyl)-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C45H40N2O3 |
|---|---|
| Molecular Weight | 656.30 g/mol |
| LogP | 10.42102 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 656.3039 |
| Heavy Atoms | 50 |
| Complexity | 2063.9243 |
Chemical Identifiers
| CAS Number | 331254-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CC(N(C3=C2C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C7=CC=C(C=C7)[N+](=O)[O-])(C)C)C |
Product Overview
BAS 00351125 (CAS 331254-70-7), with molecular formula C45H40N2O3 and molecular weight 656.30 g/mol. IUPAC: (4-nitrophenyl)-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]methanone.
Chemical Property Profile of BAS 00351125
Property Insights of BAS 00351125
The XLogP value of 10.42102 indicates that BAS 00351125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00351125. Following Lipinski's Rule of Five, BAS 00351125 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00351125?
The CAS number of BAS 00351125 is 331254-70-7.
What is the molecular formula of BAS 00351125?
The molecular formula of BAS 00351125 is C45H40N2O3.
What is the molecular weight of BAS 00351125?
The molecular weight of BAS 00351125 is 656.30 g/mol.
Where can I buy BAS 00351125?
You can request a quote for BAS 00351125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00351125?
Yes, KEHONG BIO provides custom synthesis services for BAS 00351125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.