Aprophit
TL;DR: Aprophit (CAS 130746-91-7) is a chemical compound with molecular formula C24H26N2O6S-2 and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate;oxalate
Also Known As: Aprophit, 3,5-Dihydroxy-9,9-diphenyl-6,8-nonadienoate, 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate;oxalate, 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate; oxalate, 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate,oxalic acid
| Molecular Formula | C24H26N2O6S-2 |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 1.0981 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.15115 |
| Heavy Atoms | 33 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 130746-91-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S.C(=O)(C(=O)[O-])[O-] |
| InChIKey | AGMGQDOWYGYXDR-UHFFFAOYSA-L |
Product Overview
Aprophit (CAS 130746-91-7), with molecular formula C24H26N2O6S-2 and molecular weight 470.15 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate;oxalate.
Chemical Property Profile of Aprophit
Property Insights of Aprophit
The XLogP value of 1.0981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aprophit. The TPSA of 154.0 Ų indicates high polarity, suggesting Aprophit may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aprophit has 0 hydrogen bond donor(s) and 9 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 Aprophit?
The CAS number of Aprophit is 130746-91-7.
What is the molecular formula of Aprophit?
The molecular formula of Aprophit is C24H26N2O6S-2.
What is the molecular weight of Aprophit?
The molecular weight of Aprophit is 470.15 g/mol.
Where can I buy Aprophit?
You can request a quote for Aprophit directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aprophit?
Yes, KEHONG BIO provides custom synthesis services for Aprophit and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.