e-4010
TL;DR: e-4010 (CAS 178308-66-2) is a chemical compound with molecular formula C22H23Cl2N5O2 and molecular weight 459.12 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;hydrochloride
Also Known As: e-4010, 4-(((3-Chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile hydrochloride, 6-Phthalazinecarbonitrile, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-, hydrochloride (1:1), 6-Phthalazinecarbonitrile, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-1-(4-hydroxy-1-piperidinyl)-, monohydrochloride, 4-(3-Chloro-4-methoxybenzyl)amino-6-cyano-1-(4-hydroxypiperidino)phthalazine Hydrochloride
| Molecular Formula | C22H23Cl2N5O2 |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 4.15848 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1229 |
| Heavy Atoms | 31 |
| Complexity | 1110.9869 |
Chemical Identifiers
| CAS Number | 178308-66-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)Cl.Cl |
Product Overview
e-4010 (CAS 178308-66-2), with molecular formula C22H23Cl2N5O2 and molecular weight 459.12 g/mol. IUPAC: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbonitrile;hydrochloride.
Chemical Property Profile of e-4010
Property Insights of e-4010
The XLogP value of 4.15848 indicates that e-4010 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 e-4010. Following Lipinski's Rule of Five, e-4010 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 e-4010?
The CAS number of e-4010 is 178308-66-2.
What is the molecular formula of e-4010?
The molecular formula of e-4010 is C22H23Cl2N5O2.
What is the molecular weight of e-4010?
The molecular weight of e-4010 is 459.12 g/mol.
Where can I buy e-4010?
You can request a quote for e-4010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for e-4010?
Yes, KEHONG BIO provides custom synthesis services for e-4010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.