RefChem:1077988
TL;DR: RefChem:1077988 (CAS 57645-72-4) is a chemical compound with molecular formula C22H27Cl2N3O2 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride
Also Known As: 4-Amino-5-chloro-2-methoxy-N-(1-(3-phenyl-2-propenyl)-4-piperidinyl)benzamide hydrochloride, Benzamide, 4-amino-5-chloro-2-methoxy-N-(1-(3-phenyl-2-propenyl)-4-piperidinyl)-, monohydrochloride, BENZAMIDE, 4-AMINO-5-CHLORO-2-METHOXY-N-(1-(3-PHENYL-2-PROPENYL)-4-PIPERIDINYL)-, 4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride, RefChem:1077988
| Molecular Formula | C22H27Cl2N3O2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | -0.5747 |
| Topological Polar Surface Area | 68.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.14804 |
| Heavy Atoms | 29 |
| Complexity | 835.45105 |
Chemical Identifiers
| CAS Number | 57645-72-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Cl)N.[Cl-] |
Product Overview
RefChem:1077988 (CAS 57645-72-4), with molecular formula C22H27Cl2N3O2 and molecular weight 435.15 g/mol. IUPAC: 4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride.
Chemical Property Profile of RefChem:1077988
Property Insights of RefChem:1077988
The XLogP value of -0.5747 indicates that RefChem:1077988 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1077988. Following Lipinski's Rule of Five, RefChem:1077988 has 3 hydrogen bond donor(s) and 3 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:1077988?
The CAS number of RefChem:1077988 is 57645-72-4.
What is the molecular formula of RefChem:1077988?
The molecular formula of RefChem:1077988 is C22H27Cl2N3O2.
What is the molecular weight of RefChem:1077988?
The molecular weight of RefChem:1077988 is 435.15 g/mol.
Where can I buy RefChem:1077988?
You can request a quote for RefChem:1077988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.