4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide
TL;DR: 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide (CAS 708222-69-9) is a chemical compound with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide
Also Known As: 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide
| Molecular Formula | C17H20ClN3O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.46338 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.1244 |
| Heavy Atoms | 23 |
| Complexity | 586.83655 |
Chemical Identifiers
| CAS Number | 708222-69-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)N(CCC#N)CCC#N |
Product Overview
4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide (CAS 708222-69-9), with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol. IUPAC: 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide.
Chemical Property Profile of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide
Property Insights of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide
The XLogP value of 3.46338 indicates that 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide. Following Lipinski's Rule of Five, 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide has 0 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 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide?
The CAS number of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide is 708222-69-9.
What is the molecular formula of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide?
The molecular formula of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide is C17H20ClN3O2.
What is the molecular weight of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide?
The molecular weight of 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide is 333.12 g/mol.
Where can I buy 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide?
You can request a quote for 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-2-methylphenoxy)-N,N-bis(2-cyanoethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.