RefChem:1062386
TL;DR: RefChem:1062386 (CAS 79677-06-8) is a chemical compound with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: C25H27NO5.ClH.1/3H2O, C25-H27-N-O5.Cl-H.1/3H2-O, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1), 2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol,chloride
| Molecular Formula | C25H28ClNO5 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1656 |
| Heavy Atoms | 32 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 79677-06-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH+]2CC4=CC=CC=C4)O.[Cl-] |
| InChIKey | TVRBNZIOPHXBKR-UHFFFAOYSA-N |
Product Overview
RefChem:1062386 (CAS 79677-06-8), with molecular formula C25H28ClNO5 and molecular weight 457.17 g/mol. IUPAC: 2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of RefChem:1062386
Property Insights of RefChem:1062386
The XLogP value of -0.36 indicates that RefChem:1062386 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062386. Following Lipinski's Rule of Five, RefChem:1062386 has 3 hydrogen bond donor(s) and 6 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:1062386?
The CAS number of RefChem:1062386 is 79677-06-8.
What is the molecular formula of RefChem:1062386?
The molecular formula of RefChem:1062386 is C25H28ClNO5.
What is the molecular weight of RefChem:1062386?
The molecular weight of RefChem:1062386 is 457.17 g/mol.
Where can I buy RefChem:1062386?
You can request a quote for RefChem:1062386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.