C22H20ClNO2.ClH
TL;DR: C22H20ClNO2.ClH (CAS 93203-07-7) is a chemical compound with molecular formula C22H21Cl2NO2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-chloro-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride
Also Known As: 6-Isoquinolinol, 1,2,3,4-tetrahydro-4-chloro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride, 1-(2-Hydroxyphenyl)-2-benzyl-4-chloro-6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 4-Chloro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride, 2-benzyl-4-chloro-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride, RefChem:1074015
| Molecular Formula | C22H21Cl2NO2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 0.57 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.09494 |
| Heavy Atoms | 27 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 93203-07-7 |
|---|---|
| SMILES | C1C(C2=C(C=CC(=C2)O)C([NH+]1CC3=CC=CC=C3)C4=CC=CC=C4O)Cl.[Cl-] |
| InChIKey | GKDANVDPCNXPKH-UHFFFAOYSA-N |
Product Overview
C22H20ClNO2.ClH (CAS 93203-07-7), with molecular formula C22H21Cl2NO2 and molecular weight 401.09 g/mol. IUPAC: 2-benzyl-4-chloro-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride.
Chemical Property Profile of C22H20ClNO2.ClH
Property Insights of C22H20ClNO2.ClH
The XLogP value of 0.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H20ClNO2.ClH. With a topological polar surface area (TPSA) of 44.9 Ų, C22H20ClNO2.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H20ClNO2.ClH has 3 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 C22H20ClNO2.ClH?
The CAS number of C22H20ClNO2.ClH is 93203-07-7.
What is the molecular formula of C22H20ClNO2.ClH?
The molecular formula of C22H20ClNO2.ClH is C22H21Cl2NO2.
What is the molecular weight of C22H20ClNO2.ClH?
The molecular weight of C22H20ClNO2.ClH is 401.09 g/mol.
Where can I buy C22H20ClNO2.ClH?
You can request a quote for C22H20ClNO2.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20ClNO2.ClH?
Yes, KEHONG BIO provides custom synthesis services for C22H20ClNO2.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.