RefChem:313662
TL;DR: RefChem:313662 (CAS 13574-98-6) is a chemical compound with molecular formula C18H18ClFN2 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-4-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Also Known As: 6-Fluoro-4-methyl-1-phenyl-1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indole hydrochloride, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-fluoro-4-methyl-1-phenyl-, hydrochloride, 6-fluoro-4-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride, 6-Fluoro-4-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1), RefChem:313662
| Molecular Formula | C18H18ClFN2 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 4.5249 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.11426 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 13574-98-6 |
|---|---|
| SMILES | CC1CNC(C2=C1C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4.Cl |
| InChIKey | WKKHBXCCJXUXEJ-UHFFFAOYSA-N |
Product Overview
RefChem:313662 (CAS 13574-98-6), with molecular formula C18H18ClFN2 and molecular weight 316.11 g/mol. IUPAC: 6-fluoro-4-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
Chemical Property Profile of RefChem:313662
Property Insights of RefChem:313662
The XLogP value of 4.5249 indicates that RefChem:313662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, RefChem:313662 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:313662 has 3 hydrogen bond donor(s) and 2 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:313662?
The CAS number of RefChem:313662 is 13574-98-6.
What is the molecular formula of RefChem:313662?
The molecular formula of RefChem:313662 is C18H18ClFN2.
What is the molecular weight of RefChem:313662?
The molecular weight of RefChem:313662 is 316.11 g/mol.
Where can I buy RefChem:313662?
You can request a quote for RefChem:313662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:313662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:313662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.