RefChem:305391
TL;DR: RefChem:305391 (CAS 41734-63-8) is a chemical compound with molecular formula C19H25ClN2O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-dimethylaminoethyl)-, oxalate, 5H-Cyclohept(b)indole-5-ethanamine, 6,7,8,9,10-pentahydro-2-chloro-N,N-dimethyl-, oxalate, 6,7,8,9,10-Pentahydro-2-chloro-5-(2-dimethylaminoethyl)-5H-cyclohept(b)indole oxalate, 2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate, 2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C19H25ClN2O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1503 |
| Heavy Atoms | 26 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 41734-63-8 |
|---|---|
| SMILES | C[NH+](C)CCN1C2=C(CCCCC2)C3=C1C=CC(=C3)Cl.C(=O)(C(=O)[O-])O |
| InChIKey | DBCNLXWMMVQGNL-UHFFFAOYSA-N |
Product Overview
RefChem:305391 (CAS 41734-63-8), with molecular formula C19H25ClN2O4 and molecular weight 380.15 g/mol. IUPAC: 2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:305391
Property Insights of RefChem:305391
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305391. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305391. Following Lipinski's Rule of Five, RefChem:305391 has 2 hydrogen bond donor(s) and 4 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:305391?
The CAS number of RefChem:305391 is 41734-63-8.
What is the molecular formula of RefChem:305391?
The molecular formula of RefChem:305391 is C19H25ClN2O4.
What is the molecular weight of RefChem:305391?
The molecular weight of RefChem:305391 is 380.15 g/mol.
Where can I buy RefChem:305391?
You can request a quote for RefChem:305391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305391?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.