RefChem:305394
TL;DR: RefChem:305394 (CAS 41734-65-0) is a chemical compound with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-5-(2-diethylaminoethyl)-2-methoxy-, oxalate, 5H-Cyclohept(b)indole-5-ethanamine, 6,7,8,9,10-pentahydro-N,N-diethyl-2-methoxy-, oxalate, 6,7,8,9,10-Pentahydro-5-(2-diethylaminoethyl)-2-methoxy-5H-cyclohept(b)indole oxalate, diethyl-[2-(2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl]azanium;2-hydroxy-2-oxoacetate, Cyclohept[b]indole-5(6H)-ethanamine, N,N-diethyl-7,8,9,10-tetrahydro-2-methoxy-, ethanedioate (1:1)
| Molecular Formula | C22H32N2O5 |
|---|---|
| Molecular Weight | 404.23 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.2311 |
| Heavy Atoms | 29 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 41734-65-0 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C(CCCCC2)C3=C1C=CC(=C3)OC.C(=O)(C(=O)[O-])O |
| InChIKey | QQHOXTLZPFVBHG-UHFFFAOYSA-N |
Product Overview
RefChem:305394 (CAS 41734-65-0), with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol. IUPAC: diethyl-[2-(2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:305394
Property Insights of RefChem:305394
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305394. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305394. Following Lipinski's Rule of Five, RefChem:305394 has 2 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 RefChem:305394?
The CAS number of RefChem:305394 is 41734-65-0.
What is the molecular formula of RefChem:305394?
The molecular formula of RefChem:305394 is C22H32N2O5.
What is the molecular weight of RefChem:305394?
The molecular weight of RefChem:305394 is 404.23 g/mol.
Where can I buy RefChem:305394?
You can request a quote for RefChem:305394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305394?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.