RefChem:339885
TL;DR: RefChem:339885 (CAS 40494-48-2) is a chemical compound with molecular formula C23H29NO5 and molecular weight 399.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1), DIMETHYL-[2-[(9-PHENYL-5,6,7,8-TETRAHYDROBENZO[7]ANNULEN-9-YL)OXY]ETHYL]AZANIUM;2-HYDROXY-2-OXOACETATE, DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM, ETHANAMINE, N,N-DIMETHYL-2-((6,7,8,9-TETRAHYDRO-5-PHENYL-5H-BENZOCYCLOHEPTEN-5-Y, DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM; 2-HYDROXY-2-OXO-ACETATE
| Molecular Formula | C23H29NO5 |
|---|---|
| Molecular Weight | 399.20 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.20456 |
| Heavy Atoms | 29 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 40494-48-2 |
|---|---|
| SMILES | C[NH+](C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])O |
| InChIKey | YXYCLIHVHKFXIZ-UHFFFAOYSA-N |
Product Overview
RefChem:339885 (CAS 40494-48-2), with molecular formula C23H29NO5 and molecular weight 399.20 g/mol. IUPAC: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:339885
Property Insights of RefChem:339885
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339885. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339885. Following Lipinski's Rule of Five, RefChem:339885 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:339885?
The CAS number of RefChem:339885 is 40494-48-2.
What is the molecular formula of RefChem:339885?
The molecular formula of RefChem:339885 is C23H29NO5.
What is the molecular weight of RefChem:339885?
The molecular weight of RefChem:339885 is 399.20 g/mol.
Where can I buy RefChem:339885?
You can request a quote for RefChem:339885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.