RefChem:1071268
TL;DR: RefChem:1071268 (CAS 21957-74-4) is a chemical compound with molecular formula C27H32ClN3O9 and molecular weight 577.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N-(5-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
Also Known As: N-(3-Chlorophenyl)-beta-methyl-N-4-pyridinyl-4-morpholinepropanamine (Z)-2-butenedioate (1:2), 4-Morpholinepropanamine, N-(3-chlorophenyl)-beta-methyl-N-4-pyridinyl-, (Z)-2-butenedioate (1:2), N'-(2'-Methyl-3'-(N-morpholino)propyl)-N'-(meta-chlorophenyl)-4-aminopyridine dimaleate, (E)-but-2-enedioic acid; N-(5-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine, RefChem:1071268
| Molecular Formula | C27H32ClN3O9 |
|---|---|
| Molecular Weight | 577.18 g/mol |
| LogP | 3.32742 |
| Topological Polar Surface Area | 177.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 577.1827 |
| Heavy Atoms | 40 |
| Complexity | 1101.0941 |
Chemical Identifiers
| CAS Number | 21957-74-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N(C2=CC=NC=C2)CCCN3CCOCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071268 (CAS 21957-74-4), with molecular formula C27H32ClN3O9 and molecular weight 577.18 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N-(5-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine.
Chemical Property Profile of RefChem:1071268
Property Insights of RefChem:1071268
The XLogP value of 3.32742 indicates that RefChem:1071268 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.8 Ų indicates high polarity, suggesting RefChem:1071268 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071268 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071268?
The CAS number of RefChem:1071268 is 21957-74-4.
What is the molecular formula of RefChem:1071268?
The molecular formula of RefChem:1071268 is C27H32ClN3O9.
What is the molecular weight of RefChem:1071268?
The molecular weight of RefChem:1071268 is 577.18 g/mol.
Where can I buy RefChem:1071268?
You can request a quote for RefChem:1071268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071268?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.