RefChem:1054093
TL;DR: RefChem:1054093 (CAS 72511-91-2) is a chemical compound with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: 1,2,3,4-Tetrahydro-1-(3,4-dimethoxyphenyl)-4,6-isoquinolinediol hydrochloride, 4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(3,4-DIMETHOXYPHENYL)-, HYDROCHLORIDE, 1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diolchloride, 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
| Molecular Formula | C17H20ClNO4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | -1.89 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1081 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 72511-91-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)OC.[Cl-] |
| InChIKey | GNVSEKKVRRZZNB-UHFFFAOYSA-N |
Product Overview
RefChem:1054093 (CAS 72511-91-2), with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of RefChem:1054093
Property Insights of RefChem:1054093
The XLogP value of -1.89 indicates that RefChem:1054093 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054093. Following Lipinski's Rule of Five, RefChem:1054093 has 3 hydrogen bond donor(s) and 5 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:1054093?
The CAS number of RefChem:1054093 is 72511-91-2.
What is the molecular formula of RefChem:1054093?
The molecular formula of RefChem:1054093 is C17H20ClNO4.
What is the molecular weight of RefChem:1054093?
The molecular weight of RefChem:1054093 is 337.11 g/mol.
Where can I buy RefChem:1054093?
You can request a quote for RefChem:1054093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.