RefChem:309452
TL;DR: RefChem:309452 (CAS 101832-30-8) is a chemical compound with molecular formula C24H33ClN2O4 and molecular weight 448.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-6-[3-(dimethylamino)propyl]-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride
Also Known As: 6-(3-(Dimethylamino)propyl)-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride, 6a-alpha-Noraporphin-9-ol, 6-(3-(dimethylamino)propyl)-1,2,10-trimethoxy-, monohydrochloride, 6a-alpha-NORAPORPHIN-9-OL, 6-(3-(DIMETHYLAMINO)PROPYL)-1,2,10-TRIMETHOXY-, MONOH, (6as)-6-[3-(dimethylamino)propyl]-10-hydroxy-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium chloride, RefChem:309452
| Molecular Formula | C24H33ClN2O4 |
|---|---|
| Molecular Weight | 448.21 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.2129 |
| Heavy Atoms | 31 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 101832-30-8 |
|---|---|
| SMILES | CN(C)CCC[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC.[Cl-] |
| InChIKey | HWOCBRPDGDWLAA-LMOVPXPDSA-N |
Product Overview
RefChem:309452 (CAS 101832-30-8), with molecular formula C24H33ClN2O4 and molecular weight 448.21 g/mol. IUPAC: (6aS)-6-[3-(dimethylamino)propyl]-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride.
Chemical Property Profile of RefChem:309452
Property Insights of RefChem:309452
The XLogP value of -0.92 indicates that RefChem:309452 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.6 Ų, RefChem:309452 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309452 has 2 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:309452?
The CAS number of RefChem:309452 is 101832-30-8.
What is the molecular formula of RefChem:309452?
The molecular formula of RefChem:309452 is C24H33ClN2O4.
What is the molecular weight of RefChem:309452?
The molecular weight of RefChem:309452 is 448.21 g/mol.
Where can I buy RefChem:309452?
You can request a quote for RefChem:309452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.