Cyclooctylformiat
TL;DR: Cyclooctylformiat (CAS 23263-78-7) is a chemical compound with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol;hydrochloride
Also Known As: Cyclooctylformiat, 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol Hydrochloride, 4-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-4-yl)-benzene-1,2-diol; hydrochloride
| Molecular Formula | C17H20ClNO4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.7719 |
| Topological Polar Surface Area | 70.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1081 |
| Heavy Atoms | 23 |
| Complexity | 705.233 |
Chemical Identifiers
| CAS Number | 23263-78-7 |
|---|---|
| SMILES | COC1=C(C=C2C(CNCC2=C1)C3=CC(=C(C=C3)O)O)OC.Cl |
Product Overview
Cyclooctylformiat (CAS 23263-78-7), with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol. IUPAC: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol;hydrochloride.
Chemical Property Profile of Cyclooctylformiat
Property Insights of Cyclooctylformiat
The XLogP value of 2.7719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooctylformiat. The TPSA of 70.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclooctylformiat. Following Lipinski's Rule of Five, Cyclooctylformiat has 3 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 Cyclooctylformiat?
The CAS number of Cyclooctylformiat is 23263-78-7.
What is the molecular formula of Cyclooctylformiat?
The molecular formula of Cyclooctylformiat is C17H20ClNO4.
What is the molecular weight of Cyclooctylformiat?
The molecular weight of Cyclooctylformiat is 337.11 g/mol.
Where can I buy Cyclooctylformiat?
You can request a quote for Cyclooctylformiat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctylformiat?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctylformiat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.