RefChem:1097855
TL;DR: RefChem:1097855 (CAS 77167-87-4) is a chemical compound with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-[3-[(3S,4R)-3-ethylpiperidin-4-yl]propyl]-6-methoxyquinoline
Also Known As: 4(R)-(3-(6-Methoxy 4-quinolyl)propyl) 3(S)-ethyl piperidine fumarate, quinoline,4-(3-6-methoxy-, -, -2-butenedioate, Quinoline,4-(3- -6-methoxy-, -, -2-butenedioate, Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, (3S-trans)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid,4-[3-[(3S,4R)-3-ethylpiperidin-4-yl]propyl]-6-methoxyquinoline
| Molecular Formula | C24H32N2O5 |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 3.9136 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.2311 |
| Heavy Atoms | 31 |
| Complexity | 880.6687 |
Chemical Identifiers
| CAS Number | 77167-87-4 |
|---|---|
| SMILES | CC[C@@H]1CNCC[C@H]1CCCC2=C3C=C(C=CC3=NC=C2)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097855 (CAS 77167-87-4), with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol. IUPAC: (E)-but-2-enedioic acid;4-[3-[(3S,4R)-3-ethylpiperidin-4-yl]propyl]-6-methoxyquinoline.
Chemical Property Profile of RefChem:1097855
Property Insights of RefChem:1097855
The XLogP value of 3.9136 indicates that RefChem:1097855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097855. Following Lipinski's Rule of Five, RefChem:1097855 has 3 hydrogen bond donor(s) and 5 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:1097855?
The CAS number of RefChem:1097855 is 77167-87-4.
What is the molecular formula of RefChem:1097855?
The molecular formula of RefChem:1097855 is C24H32N2O5.
What is the molecular weight of RefChem:1097855?
The molecular weight of RefChem:1097855 is 428.23 g/mol.
Where can I buy RefChem:1097855?
You can request a quote for RefChem:1097855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097855?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.