RefChem:311371
TL;DR: RefChem:311371 (CAS 41828-97-1) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydroxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one;hydrochloride
Also Known As: 5,6-Dihydroxy-1-methyl-1,2,3,8,9,9a-hexahydro-7H-benzo(de)quinolin-7-one, 2,3,7,8,9,9a-Hexahydro-5,6-dihydroxy-1-methyl-1H-benzo(de)chinolin-7-on-hydrochlorid [German], 7H-Benzo(de)quinolin-7-one, 1,2,3,8,9,9a-hexahydro-5,6-dihydroxy-1-methyl-, hydrochloride, 2,3,7,8,9,9a-Hexahydro-5,6-dihydroxy-1-methyl-1H-benzo(de)chinolin-7-on-hydrochlorid, 5,6-dihydroxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one hydrochloride
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.0251 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 515.44806 |
Chemical Identifiers
| CAS Number | 41828-97-1 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CCC3=O)O)O.Cl |
Product Overview
RefChem:311371 (CAS 41828-97-1), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: 5,6-dihydroxy-1-methyl-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-7-one;hydrochloride.
Chemical Property Profile of RefChem:311371
Property Insights of RefChem:311371
The XLogP value of 2.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311371. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311371. Following Lipinski's Rule of Five, RefChem:311371 has 2 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:311371?
The CAS number of RefChem:311371 is 41828-97-1.
What is the molecular formula of RefChem:311371?
The molecular formula of RefChem:311371 is C13H16ClNO3.
What is the molecular weight of RefChem:311371?
The molecular weight of RefChem:311371 is 269.08 g/mol.
Where can I buy RefChem:311371?
You can request a quote for RefChem:311371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311371?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.