RefChem:305295
TL;DR: RefChem:305295 (CAS 36040-23-0) is a chemical compound with molecular formula C19H22ClN3 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-chloro-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: 5-23-03-00085 (Beilstein Handbook Reference), 10,11-Dihydro-7-chloro-5-(4-methylpiperazinyl)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine, 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-chloro-5-(4-methylpiperazinyl)-, 7-Chloro-10,11-dihydro-5-(4-methyl-1-piperazinyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine, 7-Chloro-5-(4-methylpiperazin-1-yl)-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
| Molecular Formula | C19H22ClN3 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.15024 |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 36040-23-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(CCC4=C2C=C(C=C4)Cl)N=CC=C3 |
| InChIKey | OVWAXFPEDFBAPL-UHFFFAOYSA-N |
Product Overview
RefChem:305295 (CAS 36040-23-0), with molecular formula C19H22ClN3 and molecular weight 327.15 g/mol. IUPAC: 14-chloro-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:305295
Property Insights of RefChem:305295
The XLogP value of 3.2 indicates that RefChem:305295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, RefChem:305295 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305295 has 0 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:305295?
The CAS number of RefChem:305295 is 36040-23-0.
What is the molecular formula of RefChem:305295?
The molecular formula of RefChem:305295 is C19H22ClN3.
What is the molecular weight of RefChem:305295?
The molecular weight of RefChem:305295 is 327.15 g/mol.
Where can I buy RefChem:305295?
You can request a quote for RefChem:305295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305295?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.