NCI60_001105
TL;DR: NCI60_001105 (CAS 5429-15-2) is a chemical compound with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-3-phenylmethoxybenzamide
Also Known As: NCI60_001105, 3-(Benzyloxy)-N-(2-(diethylamino)ethyl)-2-(hydroxy(oxido)amino)-4-methylbenzamide, 3-(benzyloxy)-n-[2-(diethylamino)ethyl]-4-methyl-2-nitrobenzamide, 3-benzyloxy-N-(2-diethylaminoethyl)-4-methyl-2-nitro-benzamide, 3-(benzyloxy)-N-(2-(diethylamino)ethyl)-4-methyl-2-nitrobenzamide
| Molecular Formula | C21H27N3O4 |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.20016 |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 5429-15-2 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=C(C(=C(C=C1)C)OCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | DJKSAAIJNPBGNG-UHFFFAOYSA-N |
Product Overview
NCI60_001105 (CAS 5429-15-2), with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-3-phenylmethoxybenzamide.
Chemical Property Profile of NCI60_001105
Property Insights of NCI60_001105
The XLogP value of 3.6 indicates that NCI60_001105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_001105. Following Lipinski's Rule of Five, NCI60_001105 has 1 hydrogen bond donor(s) and 5 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 NCI60_001105?
The CAS number of NCI60_001105 is 5429-15-2.
What is the molecular formula of NCI60_001105?
The molecular formula of NCI60_001105 is C21H27N3O4.
What is the molecular weight of NCI60_001105?
The molecular weight of NCI60_001105 is 385.20 g/mol.
Where can I buy NCI60_001105?
You can request a quote for NCI60_001105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_001105?
Yes, KEHONG BIO provides custom synthesis services for NCI60_001105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.