BAS 00802117
TL;DR: BAS 00802117 (CAS 332019-72-4) is a chemical compound with molecular formula C33H29N3O5 and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide
Also Known As: BAS 00802117, (2E)-N-{1-[(4-methoxyphenyl)carbonyl]-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl}-3-(4-nitrophenyl)-N-phenylprop-2-enamide, (2E)-N-[1-(4-METHOXYBENZOYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-4-YL]-3-(4-NITROPHENYL)-N-PHENYLPROP-2-ENAMIDE, (E)-N-(1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4-nitrophenyl)-N-phenylacrylamide, (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide
| Molecular Formula | C33H29N3O5 |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 6.8301 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.2107 |
| Heavy Atoms | 41 |
| Complexity | 1583.7202 |
Chemical Identifiers
| CAS Number | 332019-72-4 |
|---|---|
| SMILES | CC1CC(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC)N(C4=CC=CC=C4)C(=O)/C=C/C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
BAS 00802117 (CAS 332019-72-4), with molecular formula C33H29N3O5 and molecular weight 547.21 g/mol. IUPAC: (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide.
Chemical Property Profile of BAS 00802117
Property Insights of BAS 00802117
The XLogP value of 6.8301 indicates that BAS 00802117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00802117. Following Lipinski's Rule of Five, BAS 00802117 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00802117?
The CAS number of BAS 00802117 is 332019-72-4.
What is the molecular formula of BAS 00802117?
The molecular formula of BAS 00802117 is C33H29N3O5.
What is the molecular weight of BAS 00802117?
The molecular weight of BAS 00802117 is 547.21 g/mol.
Where can I buy BAS 00802117?
You can request a quote for BAS 00802117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802117?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.