C18H17ClFNO3
TL;DR: C18H17ClFNO3 (CAS 900291-88-5) is a chemical compound with molecular formula C18H17ClFNO3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: (2-chloro-6-fluorophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (2-chloro-6-fluorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
| Molecular Formula | C18H17ClFNO3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.6948 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0881 |
| Heavy Atoms | 24 |
| Complexity | 773.8236 |
Chemical Identifiers
| CAS Number | 900291-88-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC=C3Cl)F)OC |
Product Overview
C18H17ClFNO3 (CAS 900291-88-5), with molecular formula C18H17ClFNO3 and molecular weight 349.09 g/mol. IUPAC: (2-chloro-6-fluorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of C18H17ClFNO3
Property Insights of C18H17ClFNO3
The XLogP value of 3.6948 indicates that C18H17ClFNO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, C18H17ClFNO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17ClFNO3 has 0 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 C18H17ClFNO3?
The CAS number of C18H17ClFNO3 is 900291-88-5.
What is the molecular formula of C18H17ClFNO3?
The molecular formula of C18H17ClFNO3 is C18H17ClFNO3.
What is the molecular weight of C18H17ClFNO3?
The molecular weight of C18H17ClFNO3 is 349.09 g/mol.
Where can I buy C18H17ClFNO3?
You can request a quote for C18H17ClFNO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17ClFNO3?
Yes, KEHONG BIO provides custom synthesis services for C18H17ClFNO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.