NCI60_016620
TL;DR: NCI60_016620 (CAS 908804-86-4) is a chemical compound with molecular formula C22H34N4O2 and molecular weight 386.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: NCI60_016620, 5-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-({2-[(diethylamino)methyl]piperidin-1-yl}acetyl)-3-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one, 5-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
| Molecular Formula | C22H34N4O2 |
|---|---|
| Molecular Weight | 386.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.2682 |
| Heavy Atoms | 28 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 908804-86-4 |
|---|---|
| SMILES | CCN(CC)CC1CCCCN1CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C |
| InChIKey | REKXQUNAUIKCRQ-UHFFFAOYSA-N |
Product Overview
NCI60_016620 (CAS 908804-86-4), with molecular formula C22H34N4O2 and molecular weight 386.27 g/mol. IUPAC: 5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of NCI60_016620
Property Insights of NCI60_016620
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_016620. With a topological polar surface area (TPSA) of 55.9 Ų, NCI60_016620 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_016620 has 1 hydrogen bond donor(s) and 4 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_016620?
The CAS number of NCI60_016620 is 908804-86-4.
What is the molecular formula of NCI60_016620?
The molecular formula of NCI60_016620 is C22H34N4O2.
What is the molecular weight of NCI60_016620?
The molecular weight of NCI60_016620 is 386.27 g/mol.
Where can I buy NCI60_016620?
You can request a quote for NCI60_016620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_016620?
Yes, KEHONG BIO provides custom synthesis services for NCI60_016620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.