2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
TL;DR: 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) (CAS 79677-15-9) is a chemical compound with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Also Known As: 2-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride, 1,2,3,4-Tetrahydro-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride, 2-benzyl-3,4-dihydro-1H-isoquinolin-2-ium-4,6-diol chloride, 2-Benzyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinolinium chloride, 4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-2-(PHENYLMETHYL)-, HYDROCHLORIDE
| Molecular Formula | C16H18ClNO2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.1026 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 79677-15-9 |
|---|---|
| SMILES | C1C(C2=C(C[NH+]1CC3=CC=CC=C3)C=CC(=C2)O)O.[Cl-] |
| InChIKey | YQPXNFGMDZLYLE-UHFFFAOYSA-N |
Product Overview
2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) (CAS 79677-15-9), with molecular formula C16H18ClNO2 and molecular weight 291.10 g/mol. IUPAC: 2-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride.
Chemical Property Profile of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
Property Insights of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
The XLogP value of -1.97 indicates that 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) 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, 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) 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 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)?
The CAS number of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) is 79677-15-9.
What is the molecular formula of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)?
The molecular formula of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) is C16H18ClNO2.
What is the molecular weight of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)?
The molecular weight of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) is 291.10 g/mol.
Where can I buy 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)?
You can request a quote for 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.