RefChem:305297
TL;DR: RefChem:305297 (CAS 36040-30-9) is a chemical compound with molecular formula C20H25N3O and molecular weight 323.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Also Known As: 10,11-Dihydro-7-methoxy-5-(N-methylpiperazinyl)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-methoxy-5-(N-methylpiperazinyl)-, 7-Chloro-5-((methylcarbamoyl)imino)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-Dihydro-7-methoxy-5-(4-methyl-1-piperazinyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine, 14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
| Molecular Formula | C20H25N3O |
|---|---|
| Molecular Weight | 323.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 28.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.19977 |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 36040-30-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(CCC4=C2C=C(C=C4)OC)N=CC=C3 |
| InChIKey | KZKGAKPGDZFAIK-UHFFFAOYSA-N |
Product Overview
RefChem:305297 (CAS 36040-30-9), with molecular formula C20H25N3O and molecular weight 323.20 g/mol. IUPAC: 14-methoxy-2-(4-methylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
Chemical Property Profile of RefChem:305297
Property Insights of RefChem:305297
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305297. With a topological polar surface area (TPSA) of 28.6 Ų, RefChem:305297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305297 has 0 hydrogen bond donor(s) and 4 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:305297?
The CAS number of RefChem:305297 is 36040-30-9.
What is the molecular formula of RefChem:305297?
The molecular formula of RefChem:305297 is C20H25N3O.
What is the molecular weight of RefChem:305297?
The molecular weight of RefChem:305297 is 323.20 g/mol.
Where can I buy RefChem:305297?
You can request a quote for RefChem:305297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305297?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.