RefChem:237653
TL;DR: RefChem:237653 (CAS 41829-00-9) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-6-ol;hydrochloride
Also Known As: 5-Methoxy-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo(de)quinolin-6-ol hydrochloride, 1H-Benzo(de)quinolin-6-ol, 2,3,7,8,9,9a-hexahydro-5-methoxy-1-methyl-, hydrochloride, 2,3,7,8,9,9a-Hexahydro-6-hydroxy-5-methoxy-1-methyl-benzo(de)chinolin-hydrochlorid, 5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-6-ol hydrochloride, 5-Methoxy-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]quinolin-6-ol--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.6879 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 461.59747 |
Chemical Identifiers
| CAS Number | 41829-00-9 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CCC3)O)OC.Cl |
Product Overview
RefChem:237653 (CAS 41829-00-9), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: 5-methoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-6-ol;hydrochloride.
Chemical Property Profile of RefChem:237653
Property Insights of RefChem:237653
The XLogP value of 2.6879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237653. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:237653 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237653 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:237653?
The CAS number of RefChem:237653 is 41829-00-9.
What is the molecular formula of RefChem:237653?
The molecular formula of RefChem:237653 is C14H20ClNO2.
What is the molecular weight of RefChem:237653?
The molecular weight of RefChem:237653 is 269.12 g/mol.
Where can I buy RefChem:237653?
You can request a quote for RefChem:237653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237653?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.