RefChem:1054068
TL;DR: RefChem:1054068 (CAS 72512-01-7) is a chemical compound with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: C18H21NO5.ClH.1/3H2O, C18-H21-N-O5.Cl-H.1/3H2-O, 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1), 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-4,6-isoquinolinediol hydrochloride H2O (3:3:1), 1-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diolchloride
| Molecular Formula | C18H22ClNO5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | -1.88 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.11865 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 72512-01-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O.[Cl-] |
| InChIKey | AQKZNWIUCUVZST-UHFFFAOYSA-N |
Product Overview
RefChem:1054068 (CAS 72512-01-7), with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol. IUPAC: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of RefChem:1054068
Property Insights of RefChem:1054068
The XLogP value of -1.88 indicates that RefChem:1054068 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054068. Following Lipinski's Rule of Five, RefChem:1054068 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:1054068?
The CAS number of RefChem:1054068 is 72512-01-7.
What is the molecular formula of RefChem:1054068?
The molecular formula of RefChem:1054068 is C18H22ClNO5.
What is the molecular weight of RefChem:1054068?
The molecular weight of RefChem:1054068 is 367.12 g/mol.
Where can I buy RefChem:1054068?
You can request a quote for RefChem:1054068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054068?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.