RefChem:1077989
TL;DR: RefChem:1077989 (CAS 63639-50-9) is a chemical compound with molecular formula C24H28ClN3O6 and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(1-benzylpiperidin-3-yl)-5-chloro-2-methoxybenzamide;(E)-but-2-enedioic acid
Also Known As: N-(1'-Benzyl-3'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide fumarate, 4-Amino-5-chloro-2-methoxy-N-(1-(phenylmethyl)-3-piperidinyl)benzamide fumarate, Benzamide, 4-amino-5-chloro-2-methoxy-N-(1-(phenylmethyl)-3-piperidinyl)-, (E)-2-butenedioate (1:1), 4-amino-N-(1-benzylpiperidin-3-yl)-5-chloro-2-methoxybenzamide; (E)-but-2-enedioic acid, RefChem:1077989
| Molecular Formula | C24H28ClN3O6 |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 3.037 |
| Topological Polar Surface Area | 142.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.16666 |
| Heavy Atoms | 34 |
| Complexity | 1012.8684 |
Chemical Identifiers
| CAS Number | 63639-50-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CCCN(C2)CC3=CC=CC=C3)Cl)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077989 (CAS 63639-50-9), with molecular formula C24H28ClN3O6 and molecular weight 489.17 g/mol. IUPAC: 4-amino-N-(1-benzylpiperidin-3-yl)-5-chloro-2-methoxybenzamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1077989
Property Insights of RefChem:1077989
The XLogP value of 3.037 indicates that RefChem:1077989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.19 Ų indicates high polarity, suggesting RefChem:1077989 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077989 has 4 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:1077989?
The CAS number of RefChem:1077989 is 63639-50-9.
What is the molecular formula of RefChem:1077989?
The molecular formula of RefChem:1077989 is C24H28ClN3O6.
What is the molecular weight of RefChem:1077989?
The molecular weight of RefChem:1077989 is 489.17 g/mol.
Where can I buy RefChem:1077989?
You can request a quote for RefChem:1077989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077989?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.