RefChem:1077987
TL;DR: RefChem:1077987 (CAS 63639-47-4) is a chemical compound with molecular formula C25H30ClN3O6 and molecular weight 503.18 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-(2-phenylethyl)piperidin-4-yl]benzamide;(E)-but-2-enedioic acid
Also Known As: 4-Amino-5-chloro-2-methoxy-N-(1-(2-phenylethyl)-4-piperidinyl)benzamide (E)-2-butenedioate, Benzamide, 4-amino-5-chloro-2-methoxy-N-(1-(2-phenylethyl)-4-piperidinyl)-, (E)-2-butenedioate, 4-amino-5-chloro-2-methoxy-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid, RefChem:1077987
| Molecular Formula | C25H30ClN3O6 |
|---|---|
| Molecular Weight | 503.18 g/mol |
| LogP | 3.0795 |
| Topological Polar Surface Area | 142.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.1823 |
| Heavy Atoms | 35 |
| Complexity | 1020.99774 |
Chemical Identifiers
| CAS Number | 63639-47-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)Cl)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077987 (CAS 63639-47-4), with molecular formula C25H30ClN3O6 and molecular weight 503.18 g/mol. IUPAC: 4-amino-5-chloro-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1077987
Property Insights of RefChem:1077987
The XLogP value of 3.0795 indicates that RefChem:1077987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.19 Ų indicates high polarity, suggesting RefChem:1077987 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077987 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1077987?
The CAS number of RefChem:1077987 is 63639-47-4.
What is the molecular formula of RefChem:1077987?
The molecular formula of RefChem:1077987 is C25H30ClN3O6.
What is the molecular weight of RefChem:1077987?
The molecular weight of RefChem:1077987 is 503.18 g/mol.
Where can I buy RefChem:1077987?
You can request a quote for RefChem:1077987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.