GTT3KUR8SA
TL;DR: GTT3KUR8SA (CAS 7596-09-0) is a chemical compound with molecular formula C21H20N4O7 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide
Also Known As: N-(7-(Diethylamino)-4-methyl-2-oxo-2H-chromen-6-yl)-3,5-bis(hydroxy(oxido)amino)benzamide, N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide, N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrob, N-[7-(diethylamino)-4-methyl-2-oxo-chromen-6-yl]-3,5-dinitro-benzamide, Benzamide, N-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]-3,5-dinitro-
| Molecular Formula | C21H20N4O7 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1332 |
| Heavy Atoms | 32 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 7596-09-0 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GEMNJEVJDBZWPO-UHFFFAOYSA-N |
Product Overview
GTT3KUR8SA (CAS 7596-09-0), with molecular formula C21H20N4O7 and molecular weight 440.13 g/mol. IUPAC: N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]-3,5-dinitrobenzamide.
Chemical Property Profile of GTT3KUR8SA
Property Insights of GTT3KUR8SA
The XLogP value of 3.2 indicates that GTT3KUR8SA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting GTT3KUR8SA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GTT3KUR8SA has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GTT3KUR8SA?
The CAS number of GTT3KUR8SA is 7596-09-0.
What is the molecular formula of GTT3KUR8SA?
The molecular formula of GTT3KUR8SA is C21H20N4O7.
What is the molecular weight of GTT3KUR8SA?
The molecular weight of GTT3KUR8SA is 440.13 g/mol.
Where can I buy GTT3KUR8SA?
You can request a quote for GTT3KUR8SA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GTT3KUR8SA?
Yes, KEHONG BIO provides custom synthesis services for GTT3KUR8SA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.