RefChem:1074029
TL;DR: RefChem:1074029 (CAS 64047-44-5) is a chemical compound with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methane;6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol;chloride
Also Known As: (S)-(-)-Isosalsoline hydrochloride, C11-H15-N-O2.Cl-H.1/4H2-O, (1S)-(-)-7-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-methyl-, hydrochloride, hydrate, (1S)-(-)-, (4:1), 6-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol--methane--hydrogen chloride (1/1/1)
| Molecular Formula | C12H20ClNO2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | -1.78 |
| Topological Polar Surface Area | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.11826 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 64047-44-5 |
|---|---|
| SMILES | C.CC1C2=CC(=C(C=C2CC[NH2+]1)OC)O.[Cl-] |
| InChIKey | YZTQKKGCHDFREC-UHFFFAOYSA-N |
Product Overview
RefChem:1074029 (CAS 64047-44-5), with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol. IUPAC: methane;6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol;chloride.
Chemical Property Profile of RefChem:1074029
Property Insights of RefChem:1074029
The XLogP value of -1.78 indicates that RefChem:1074029 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.1 Ų, RefChem:1074029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074029 has 2 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 RefChem:1074029?
The CAS number of RefChem:1074029 is 64047-44-5.
What is the molecular formula of RefChem:1074029?
The molecular formula of RefChem:1074029 is C12H20ClNO2.
What is the molecular weight of RefChem:1074029?
The molecular weight of RefChem:1074029 is 245.12 g/mol.
Where can I buy RefChem:1074029?
You can request a quote for RefChem:1074029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074029?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.