BAS 00501789
TL;DR: BAS 00501789 (CAS 372157-37-4) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide
Also Known As: BAS 00501789, N-(1-isobutyryl-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl)-3-nitro-N-phenylbenzamide, N-(1-isobutyryl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-nitro-N-phenylbenzamide, N-[2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide, N-[2-methyl-1-(2-methylpropanoyl)(4-1,2,3,4-tetrahydroquinolyl)](3-nitrophenyl )-N-benzamide
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 5.7641 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1225.3096 |
Chemical Identifiers
| CAS Number | 372157-37-4 |
|---|---|
| SMILES | CC1CC(C2=CC=CC=C2N1C(=O)C(C)C)N(C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00501789 (CAS 372157-37-4), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: N-[2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide.
Chemical Property Profile of BAS 00501789
Property Insights of BAS 00501789
The XLogP value of 5.7641 indicates that BAS 00501789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00501789. Following Lipinski's Rule of Five, BAS 00501789 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501789?
The CAS number of BAS 00501789 is 372157-37-4.
What is the molecular formula of BAS 00501789?
The molecular formula of BAS 00501789 is C27H27N3O4.
What is the molecular weight of BAS 00501789?
The molecular weight of BAS 00501789 is 457.20 g/mol.
Where can I buy BAS 00501789?
You can request a quote for BAS 00501789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501789?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.