RefChem:309449
TL;DR: RefChem:309449 (CAS 101832-29-5) is a chemical compound with molecular formula C25H35ClN2O4 and molecular weight 462.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-6-[2-(diethylamino)ethyl]-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride
Also Known As: 6a-alpha-Noraporphin-9-ol, 6-(2-(diethylamino)ethyl)-1,2,10-trimethoxy-, monohydrochloride, 6-(2-(Diethylamino)ethyl)-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol monohydrochloride, (6as)-6-[2-(diethylamino)ethyl]-10-hydroxy-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium chloride, RefChem:309449
| Molecular Formula | C25H35ClN2O4 |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.22855 |
| Heavy Atoms | 32 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 101832-29-5 |
|---|---|
| SMILES | CCN(CC)CC[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC.[Cl-] |
| InChIKey | SRKXKYSOEFEXHL-FERBBOLQSA-N |
Product Overview
RefChem:309449 (CAS 101832-29-5), with molecular formula C25H35ClN2O4 and molecular weight 462.23 g/mol. IUPAC: (6aS)-6-[2-(diethylamino)ethyl]-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride.
Chemical Property Profile of RefChem:309449
Property Insights of RefChem:309449
The XLogP value of -0.53 indicates that RefChem:309449 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:309449 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309449 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:309449?
The CAS number of RefChem:309449 is 101832-29-5.
What is the molecular formula of RefChem:309449?
The molecular formula of RefChem:309449 is C25H35ClN2O4.
What is the molecular weight of RefChem:309449?
The molecular weight of RefChem:309449 is 462.23 g/mol.
Where can I buy RefChem:309449?
You can request a quote for RefChem:309449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.