BAS 01095076
TL;DR: BAS 01095076 (CAS 336176-17-1) is a chemical compound with molecular formula C26H20ClN3O7 and molecular weight 521.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,4-trimethyl-1-(2-nitrobenzoyl)quinolin-6-yl] 4-chloro-3-nitrobenzoate
Also Known As: BAS 01095076, [2,2,4-trimethyl-1-(2-nitrobenzoyl)quinolin-6-yl] 4-chloro-3-nitrobenzoate, 2,2,4-trimethyl-1-(2-nitrobenzoyl)-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate, 2,2,4-trimethyl-1-[(2-nitrophenyl)carbonyl]-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate
| Molecular Formula | C26H20ClN3O7 |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 6.2179 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.099 |
| Heavy Atoms | 37 |
| Complexity | 1513.7551 |
Chemical Identifiers
| CAS Number | 336176-17-1 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CC=C4[N+](=O)[O-])(C)C |
Product Overview
BAS 01095076 (CAS 336176-17-1), with molecular formula C26H20ClN3O7 and molecular weight 521.10 g/mol. IUPAC: [2,2,4-trimethyl-1-(2-nitrobenzoyl)quinolin-6-yl] 4-chloro-3-nitrobenzoate.
Chemical Property Profile of BAS 01095076
Property Insights of BAS 01095076
The XLogP value of 6.2179 indicates that BAS 01095076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01095076. Following Lipinski's Rule of Five, BAS 01095076 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01095076?
The CAS number of BAS 01095076 is 336176-17-1.
What is the molecular formula of BAS 01095076?
The molecular formula of BAS 01095076 is C26H20ClN3O7.
What is the molecular weight of BAS 01095076?
The molecular weight of BAS 01095076 is 521.10 g/mol.
Where can I buy BAS 01095076?
You can request a quote for BAS 01095076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095076?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.