NCIOpen2_009066
TL;DR: NCIOpen2_009066 (CAS 28895-02-5) is a chemical compound with molecular formula C21H24N4O2 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
Also Known As: NCIOpen2_009066, 1,3-Bis(tri-tert-butylsilyl)triazen, 1-Triazene,1,3-bis[tris(1,1-dimethylethyl)silyl], 2,2'-(propane-1,3-diyldiimino)bis[(4-methoxyphenyl)acetonitrile], 2-[3-[[cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
| Molecular Formula | C21H24N4O2 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 364.1899 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 28895-02-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)NCCCNC(C#N)C2=CC=C(C=C2)OC |
| InChIKey | FKRDCLMTLCIITA-UHFFFAOYSA-N |
Product Overview
NCIOpen2_009066 (CAS 28895-02-5), with molecular formula C21H24N4O2 and molecular weight 364.19 g/mol. IUPAC: 2-[3-[[cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of NCIOpen2_009066
Property Insights of NCIOpen2_009066
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_009066. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009066. Following Lipinski's Rule of Five, NCIOpen2_009066 has 2 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 NCIOpen2_009066?
The CAS number of NCIOpen2_009066 is 28895-02-5.
What is the molecular formula of NCIOpen2_009066?
The molecular formula of NCIOpen2_009066 is C21H24N4O2.
What is the molecular weight of NCIOpen2_009066?
The molecular weight of NCIOpen2_009066 is 364.19 g/mol.
Where can I buy NCIOpen2_009066?
You can request a quote for NCIOpen2_009066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009066?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.