3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)
TL;DR: 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) (CAS 101670-58-0) is a chemical compound with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride
Also Known As: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride, ISOQUINOLIN-1-ONE, 1,2,3,4-TETRAHYDRO-4,7,8-TRIHYDROXY-, HYDROCHLORIDE, 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one, 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1), 4,7,8-trihydroxy-1-oxo-1,2,3,4-tetrahydroisoquinolinium chloride
| Molecular Formula | C9H10ClNO4 |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | -4.15 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.02983 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 101670-58-0 |
|---|---|
| SMILES | C1C(C2=C(C(=C(C=C2)O)O)C(=O)[NH2+]1)O.[Cl-] |
| InChIKey | BMNBFRJBYVIOAY-UHFFFAOYSA-N |
Product Overview
3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) (CAS 101670-58-0), with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol. IUPAC: 4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-2-ium-1-one chloride.
Chemical Property Profile of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)
Property Insights of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)
The XLogP value of -4.15 indicates that 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) has 4 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 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)?
The CAS number of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) is 101670-58-0.
What is the molecular formula of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)?
The molecular formula of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) is C9H10ClNO4.
What is the molecular weight of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)?
The molecular weight of 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) is 231.03 g/mol.
Where can I buy 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)?
You can request a quote for 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--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 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroisoquinoline-1,4,7,8-tetrol--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.