RefChem:540007
TL;DR: RefChem:540007 (CAS 3964-79-2) is a chemical compound with molecular formula C20H24N2O and molecular weight 308.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
Also Known As: 6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, 6-11-DIHYDRO-11-(1-METHYLPIPERIDIN-4-YL)-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-OL, 11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridin-11-ol, 11-(1-Methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 5H-Benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, 6,11-dihydro-11-(1-methyl-4-piperidinyl)-
| Molecular Formula | C20H24N2O |
|---|---|
| Molecular Weight | 308.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.18887 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 3964-79-2 |
|---|---|
| SMILES | CN1CCC(CC1)C2(C3=CC=CC=C3CCC4=C2N=CC=C4)O |
| InChIKey | SREPUDDANOISMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:540007 (CAS 3964-79-2), with molecular formula C20H24N2O and molecular weight 308.19 g/mol. IUPAC: 2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.
Chemical Property Profile of RefChem:540007
Property Insights of RefChem:540007
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:540007. With a topological polar surface area (TPSA) of 36.4 Ų, RefChem:540007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:540007 has 1 hydrogen bond donor(s) and 3 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:540007?
The CAS number of RefChem:540007 is 3964-79-2.
What is the molecular formula of RefChem:540007?
The molecular formula of RefChem:540007 is C20H24N2O.
What is the molecular weight of RefChem:540007?
The molecular weight of RefChem:540007 is 308.19 g/mol.
Where can I buy RefChem:540007?
You can request a quote for RefChem:540007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:540007?
Yes, KEHONG BIO provides custom synthesis services for RefChem:540007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.