RefChem:1074567
TL;DR: RefChem:1074567 (CAS 41829-09-8) is a chemical compound with molecular formula C15H21ClN2O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(5,6-dimethoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-ylidene)hydroxylamine;hydrochloride
Also Known As: 5,6-Dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-7H-benzo(de)quinolin-7-one oxime hydrochloride, 7H-Benzo(de)quinolin-7-one, 1,2,3,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, oxime, monohydrochloride, 2,3,7,8,9,9a-Hexahydro-7-hydroxyimino-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin-hydrochlorid, RefChem:1074567
| Molecular Formula | C15H21ClN2O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 2.6267 |
| Topological Polar Surface Area | 54.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.12408 |
| Heavy Atoms | 21 |
| Complexity | 574.5274 |
Chemical Identifiers
| CAS Number | 41829-09-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C\3=C2C1CC/C3=N\O)OC)OC.Cl |
Product Overview
RefChem:1074567 (CAS 41829-09-8), with molecular formula C15H21ClN2O3 and molecular weight 312.12 g/mol. IUPAC: (NE)-N-(5,6-dimethoxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-ylidene)hydroxylamine;hydrochloride.
Chemical Property Profile of RefChem:1074567
Property Insights of RefChem:1074567
The XLogP value of 2.6267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074567. With a topological polar surface area (TPSA) of 54.29 Ų, RefChem:1074567 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074567 has 1 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:1074567?
The CAS number of RefChem:1074567 is 41829-09-8.
What is the molecular formula of RefChem:1074567?
The molecular formula of RefChem:1074567 is C15H21ClN2O3.
What is the molecular weight of RefChem:1074567?
The molecular weight of RefChem:1074567 is 312.12 g/mol.
Where can I buy RefChem:1074567?
You can request a quote for RefChem:1074567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.