RefChem:1058518
TL;DR: RefChem:1058518 (CAS 3380-79-8) is a chemical compound with molecular formula C17H16Cl2N2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Also Known As: 1-(2-Chlorophenyl)tetrahydronorharman hydrochloride, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(o-chlorophenyl)-, hydrochloride, 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride, 1-(2-Chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1), 1H-Pyrido(3,4-b)indole, 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-, hydrochloride (1:1)
| Molecular Formula | C17H16Cl2N2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 4.4782 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.06906 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 3380-79-8 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4Cl.Cl |
| InChIKey | BXFHINAHGVDUKU-UHFFFAOYSA-N |
Product Overview
RefChem:1058518 (CAS 3380-79-8), with molecular formula C17H16Cl2N2 and molecular weight 318.07 g/mol. IUPAC: 1-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
Chemical Property Profile of RefChem:1058518
Property Insights of RefChem:1058518
The XLogP value of 4.4782 indicates that RefChem:1058518 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:1058518 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058518 has 3 hydrogen bond donor(s) and 1 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:1058518?
The CAS number of RefChem:1058518 is 3380-79-8.
What is the molecular formula of RefChem:1058518?
The molecular formula of RefChem:1058518 is C17H16Cl2N2.
What is the molecular weight of RefChem:1058518?
The molecular weight of RefChem:1058518 is 318.07 g/mol.
Where can I buy RefChem:1058518?
You can request a quote for RefChem:1058518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058518?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.