NCI60_016629
TL;DR: NCI60_016629 (CAS 76006-32-1) is a chemical compound with molecular formula C26H34N2O4 and molecular weight 438.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexane-1-carbonitrile
Also Known As: NCI60_016629, 1-(3,4-dimethoxyphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexane-1-carbonitrile, 1-(3,4-dimethoxyphenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}cyclohexanecarbonitrile, 1-(3,4-Dimethoxyphenyl)-4-(N-methyl-3,4-dimethoxyphenethylamino)cyclohexane-1-carbonitrile, (1r,4r)-1-(3,4-dimethoxyphenyl)-4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}cyclohexane-1-carbonitrile
| Molecular Formula | C26H34N2O4 |
|---|---|
| Molecular Weight | 438.25 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.25186 |
| Heavy Atoms | 32 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 76006-32-1 |
|---|---|
| SMILES | CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(CC2)(C#N)C3=CC(=C(C=C3)OC)OC |
| InChIKey | CCKZPJOFNUSUGY-UHFFFAOYSA-N |
Product Overview
NCI60_016629 (CAS 76006-32-1), with molecular formula C26H34N2O4 and molecular weight 438.25 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexane-1-carbonitrile.
Chemical Property Profile of NCI60_016629
Property Insights of NCI60_016629
The XLogP value of 4.6 indicates that NCI60_016629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_016629. Following Lipinski's Rule of Five, NCI60_016629 has 0 hydrogen bond donor(s) and 6 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_016629?
The CAS number of NCI60_016629 is 76006-32-1.
What is the molecular formula of NCI60_016629?
The molecular formula of NCI60_016629 is C26H34N2O4.
What is the molecular weight of NCI60_016629?
The molecular weight of NCI60_016629 is 438.25 g/mol.
Where can I buy NCI60_016629?
You can request a quote for NCI60_016629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_016629?
Yes, KEHONG BIO provides custom synthesis services for NCI60_016629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.