RefChem:1062390
TL;DR: RefChem:1062390 (CAS 93202-97-2) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-2-(phenylmethyl)-, hydrochloride, hydrate, 2-benzyl-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 1,2,3,4-Tetrahydro-1-methyl-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride hydrate, 2-Benzyl-1-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1), RefChem:1062390
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | -1.41 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 93202-97-2 |
|---|---|
| SMILES | CC1C2=C(C=C(C=C2)O)C(C[NH+]1CC3=CC=CC=C3)O.[Cl-] |
| InChIKey | PGXWVQFRMUHEMV-UHFFFAOYSA-N |
Product Overview
RefChem:1062390 (CAS 93202-97-2), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: 2-benzyl-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of RefChem:1062390
Property Insights of RefChem:1062390
The XLogP value of -1.41 indicates that RefChem:1062390 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:1062390 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062390 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 RefChem:1062390?
The CAS number of RefChem:1062390 is 93202-97-2.
What is the molecular formula of RefChem:1062390?
The molecular formula of RefChem:1062390 is C17H20ClNO2.
What is the molecular weight of RefChem:1062390?
The molecular weight of RefChem:1062390 is 305.12 g/mol.
Where can I buy RefChem:1062390?
You can request a quote for RefChem:1062390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062390?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.