C21H25Cl2N3O3.ClH.1/2H2O
TL;DR: C21H25Cl2N3O3.ClH.1/2H2O (CAS 112886-53-0) is a chemical compound with molecular formula C21H26Cl3N3O3 and molecular weight 473.10397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide;hydrochloride
Also Known As: C21H25Cl2N3O3.ClH.1/2H2O, C21-H25-Cl2-N3-O3.Cl-H.1/2H2-O, Benzamide, 4-amino-5-chloro-N-((4-((3-chlorophenyl)methyl)-2-morpholinyl)methyl)-2-ethoxy-, hydrochloride, hydrate (2:2:1), 4-Amino-5-chloro-N-({4-[(3-chlorophenyl)methyl]morpholin-2-yl}methyl)-2-ethoxybenzene-1-carboximidic acid--hydrogen chloride (1/1), 4-amino-5-chloro-N-[[4-[(3-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide hydrochloride
Technical Specifications
| Molecular Formula | C21H26Cl3N3O3 |
| Molecular Weight | 473.10397 g/mol |
| XLogP | 4.0269 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.10397 Da |
| Heavy Atoms | 30 |
| Complexity | 527.0 |
| SMILES | CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC(=CC=C3)Cl)Cl)N.Cl |
| InChIKey | SIISMZJUWDWZJV-UHFFFAOYSA-N |
Chemical Property Profile of C21H25Cl2N3O3.ClH.1/2H2O
Property Insights of C21H25Cl2N3O3.ClH.1/2H2O
The XLogP value of 4.0269 indicates that C21H25Cl2N3O3.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H25Cl2N3O3.ClH.1/2H2O. Following Lipinski's Rule of Five, C21H25Cl2N3O3.ClH.1/2H2O has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H25Cl2N3O3.ClH.1/2H2O?
The CAS number of C21H25Cl2N3O3.ClH.1/2H2O is 112886-53-0.
What is the molecular formula of C21H25Cl2N3O3.ClH.1/2H2O?
The molecular formula of C21H25Cl2N3O3.ClH.1/2H2O is C21H26Cl3N3O3.
What is the molecular weight of C21H25Cl2N3O3.ClH.1/2H2O?
The molecular weight of C21H25Cl2N3O3.ClH.1/2H2O is 473.10397 g/mol.
Where can I buy C21H25Cl2N3O3.ClH.1/2H2O?
You can request a quote for C21H25Cl2N3O3.ClH.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H25Cl2N3O3.ClH.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C21H25Cl2N3O3.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.