RefChem:1061690
TL;DR: RefChem:1061690 (CAS 18235-87-5) is a chemical compound with molecular formula C23H29ClN2O3 and molecular weight 416.18668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(5-methoxy-2-methyl-1-phenylindole-3-carbonyl)oxyethyl]azanium chloride
Also Known As: OF 2436, Indole-3-carboxylic acid, 5-methoxy-2-methyl-1-phenyl-, 2-(diethylamino)ethyl ester, monohydrochloride, diethyl-[2-(5-methoxy-2-methyl-1-phenylindole-3-carbonyl)oxyethyl]azanium chloride, INDOLE-3-CARBOXYLIC ACID, 5-METHOXY-2-METHYL-1-PHENYL-, 2-(DIETHYLAMINO)ETHYL ES, 2-(Diethylamino)ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C23H29ClN2O3 |
| Molecular Weight | 416.18668 g/mol |
| XLogP | 0.03 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.18668 Da |
| Heavy Atoms | 29 |
| Complexity | 490.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C.[Cl-] |
| InChIKey | WQGXFWXRNJECGX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1061690
Property Insights of RefChem:1061690
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061690. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:1061690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061690 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1061690?
The CAS number of RefChem:1061690 is 18235-87-5.
What is the molecular formula of RefChem:1061690?
The molecular formula of RefChem:1061690 is C23H29ClN2O3.
What is the molecular weight of RefChem:1061690?
The molecular weight of RefChem:1061690 is 416.18668 g/mol.
Where can I buy RefChem:1061690?
You can request a quote for RefChem:1061690 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1061690?
Yes, CoreyChem provides custom synthesis services for RefChem:1061690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.