ETHYL 4-HYDROXY-2-NAPHTHOATE
TL;DR: ETHYL 4-HYDROXY-2-NAPHTHOATE (CAS 76061-81-9) is a chemical compound with molecular formula C18H24BrClN2 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-bromo-4-butyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;hydrochloride
Also Known As: ETHYL 4-HYDROXY-2-NAPHTHOATE, 1H-Pyrazino(3,2,1-jk)carbazole, 2,3,3a,4,5,6-hexahydro-8-bromo-3-butyl-, hydrochloride, 1,10-Trimethylene-2-butyl-8-bromo-1,2,3,4-tetrahydropyrazino(1,2-a)indole hydrochloride, 1H-Pyrazino carbazole,2,3,3a,4,5,6-hexahydro-8-bromo-3-butyl-,hydrochloride, 8-Bromo-3-butyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole--hydrogen chloride (1/1)
| Molecular Formula | C18H24BrClN2 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 5.3187 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.08115 |
| Heavy Atoms | 22 |
| Complexity | 679.2673 |
Chemical Identifiers
| CAS Number | 76061-81-9 |
|---|---|
| SMILES | CCCCN1CCN2C3=C(C=C(C=C3)Br)C4=C2C1CCC4.Cl |
Product Overview
ETHYL 4-HYDROXY-2-NAPHTHOATE (CAS 76061-81-9), with molecular formula C18H24BrClN2 and molecular weight 382.08 g/mol. IUPAC: 12-bromo-4-butyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;hydrochloride.
Chemical Property Profile of ETHYL 4-HYDROXY-2-NAPHTHOATE
Property Insights of ETHYL 4-HYDROXY-2-NAPHTHOATE
The XLogP value of 5.3187 indicates that ETHYL 4-HYDROXY-2-NAPHTHOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, ETHYL 4-HYDROXY-2-NAPHTHOATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ETHYL 4-HYDROXY-2-NAPHTHOATE has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ETHYL 4-HYDROXY-2-NAPHTHOATE?
The CAS number of ETHYL 4-HYDROXY-2-NAPHTHOATE is 76061-81-9.
What is the molecular formula of ETHYL 4-HYDROXY-2-NAPHTHOATE?
The molecular formula of ETHYL 4-HYDROXY-2-NAPHTHOATE is C18H24BrClN2.
What is the molecular weight of ETHYL 4-HYDROXY-2-NAPHTHOATE?
The molecular weight of ETHYL 4-HYDROXY-2-NAPHTHOATE is 382.08 g/mol.
Where can I buy ETHYL 4-HYDROXY-2-NAPHTHOATE?
You can request a quote for ETHYL 4-HYDROXY-2-NAPHTHOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 4-HYDROXY-2-NAPHTHOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-HYDROXY-2-NAPHTHOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.