RefChem:1077969
TL;DR: RefChem:1077969 (CAS 63639-56-5) is a chemical compound with molecular formula C26H30ClN3O7 and molecular weight 531.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;(E)-but-2-enedioic acid
Also Known As: 4-(Acetylamino)-5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)benzamide fumarate, Benzamide, 4-(acetylamino)-5-chloro-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, (E)-2-butenedioate, 4-acetamido-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide; (E)-but-2-enedioic acid, RefChem:1077969
| Molecular Formula | C26H30ClN3O7 |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | 3.4132 |
| Topological Polar Surface Area | 145.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.17725 |
| Heavy Atoms | 37 |
| Complexity | 1114.4902 |
Chemical Identifiers
| CAS Number | 63639-56-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077969 (CAS 63639-56-5), with molecular formula C26H30ClN3O7 and molecular weight 531.18 g/mol. IUPAC: 4-acetamido-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1077969
Property Insights of RefChem:1077969
The XLogP value of 3.4132 indicates that RefChem:1077969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.27 Ų indicates high polarity, suggesting RefChem:1077969 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077969 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:1077969?
The CAS number of RefChem:1077969 is 63639-56-5.
What is the molecular formula of RefChem:1077969?
The molecular formula of RefChem:1077969 is C26H30ClN3O7.
What is the molecular weight of RefChem:1077969?
The molecular weight of RefChem:1077969 is 531.18 g/mol.
Where can I buy RefChem:1077969?
You can request a quote for RefChem:1077969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077969?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.