RefChem:321652
TL;DR: RefChem:321652 (CAS 112885-01-5) is a chemical compound with molecular formula C21H23ClN4O3 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
Also Known As: 4-Amino-5-chloro-N-((4-((2-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxybenzamide, Benzamide, 4-amino-5-chloro-N-((4-((2-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, 4-Amino-5-chloro-2-methoxy-N-[[4-(2-cyanobenzyl)-2-morpholinyl]methyl]benzamide, 4-amino-5-chloro-N-({4-[(2-cyanophenyl)methyl]morpholin-2-yl}methyl)-2-methoxybenzamide, 4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
| Molecular Formula | C21H23ClN4O3 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 2.43328 |
| Topological Polar Surface Area | 100.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.14587 |
| Heavy Atoms | 29 |
| Complexity | 928.6276 |
Chemical Identifiers
| CAS Number | 112885-01-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=CC=C3C#N)Cl)N |
Product Overview
RefChem:321652 (CAS 112885-01-5), with molecular formula C21H23ClN4O3 and molecular weight 414.15 g/mol. IUPAC: 4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide.
Chemical Property Profile of RefChem:321652
Property Insights of RefChem:321652
The XLogP value of 2.43328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321652. The TPSA of 100.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321652. Following Lipinski's Rule of Five, RefChem:321652 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 RefChem:321652?
The CAS number of RefChem:321652 is 112885-01-5.
What is the molecular formula of RefChem:321652?
The molecular formula of RefChem:321652 is C21H23ClN4O3.
What is the molecular weight of RefChem:321652?
The molecular weight of RefChem:321652 is 414.15 g/mol.
Where can I buy RefChem:321652?
You can request a quote for RefChem:321652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321652?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.