RefChem:1062387
TL;DR: RefChem:1062387 (CAS 93202-99-4) is a chemical compound with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride, 1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride, 1-(4-Hydroxyphenyl)-2-benzyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 2-benzyl-1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 2-Benzyl-1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -0.68 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 93202-99-4 |
|---|---|
| SMILES | C1C(C2=C(C=CC(=C2)O)C([NH+]1CC3=CC=CC=C3)C4=CC=C(C=C4)O)O.[Cl-] |
| InChIKey | JJZHYFOEMJIALV-UHFFFAOYSA-N |
Product Overview
RefChem:1062387 (CAS 93202-99-4), with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol. IUPAC: 2-benzyl-1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of RefChem:1062387
Property Insights of RefChem:1062387
The XLogP value of -0.68 indicates that RefChem:1062387 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062387. Following Lipinski's Rule of Five, RefChem:1062387 has 4 hydrogen bond donor(s) and 4 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:1062387?
The CAS number of RefChem:1062387 is 93202-99-4.
What is the molecular formula of RefChem:1062387?
The molecular formula of RefChem:1062387 is C22H22ClNO3.
What is the molecular weight of RefChem:1062387?
The molecular weight of RefChem:1062387 is 383.13 g/mol.
Where can I buy RefChem:1062387?
You can request a quote for RefChem:1062387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062387?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.