Yze9gcm2BB
TL;DR: Yze9gcm2BB (CAS 178308-65-1) is a chemical compound with molecular formula C22H22ClN5O2 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile
Also Known As: E-4010 free base, J1.166.016I, 4-(((3-Chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-6-phthalazinecarbonitrile, 4-(((3-Chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile, 6-Phthalazinecarbonitrile, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-
| Molecular Formula | C22H22ClN5O2 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 3.73668 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1462 |
| Heavy Atoms | 30 |
| Complexity | 1106.6135 |
Chemical Identifiers
| CAS Number | 178308-65-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl |
Product Overview
Yze9gcm2BB (CAS 178308-65-1), with molecular formula C22H22ClN5O2 and molecular weight 423.15 g/mol. IUPAC: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile.
Chemical Property Profile of Yze9gcm2BB
Property Insights of Yze9gcm2BB
The XLogP value of 3.73668 indicates that Yze9gcm2BB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Yze9gcm2BB. Following Lipinski's Rule of Five, Yze9gcm2BB has 2 hydrogen bond donor(s) and 7 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 Yze9gcm2BB?
The CAS number of Yze9gcm2BB is 178308-65-1.
What is the molecular formula of Yze9gcm2BB?
The molecular formula of Yze9gcm2BB is C22H22ClN5O2.
What is the molecular weight of Yze9gcm2BB?
The molecular weight of Yze9gcm2BB is 423.15 g/mol.
Where can I buy Yze9gcm2BB?
You can request a quote for Yze9gcm2BB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yze9gcm2BB?
Yes, KEHONG BIO provides custom synthesis services for Yze9gcm2BB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.