AN-648/15596001
TL;DR: AN-648/15596001 (CAS 1164522-84-2) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-1-(4-ethylphenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
Also Known As: AN-648/15596001, (4Z)-1-(4-ethylphenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione, 1-(4-ethylphenyl)-4-[3-(2-furyl)-2-propenylidene]-3,5-pyrazolidinedione, (4Z)-1-(4-ethylphenyl)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrazolidine-3,5-dione, 1-(4-ethylphenyl)-4-[3-(2-furyl)-2-propen-1-ylidene]-3,5-pyrazolidinedione
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.8596 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 771.10785 |
Chemical Identifiers
| CAS Number | 1164522-84-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=CO3)/C(=O)N2 |
Product Overview
AN-648/15596001 (CAS 1164522-84-2), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: (4Z)-1-(4-ethylphenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione.
Chemical Property Profile of AN-648/15596001
Property Insights of AN-648/15596001
The XLogP value of 2.8596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/15596001. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/15596001. Following Lipinski's Rule of Five, AN-648/15596001 has 1 hydrogen bond donor(s) and 3 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 AN-648/15596001?
The CAS number of AN-648/15596001 is 1164522-84-2.
What is the molecular formula of AN-648/15596001?
The molecular formula of AN-648/15596001 is C18H16N2O3.
What is the molecular weight of AN-648/15596001?
The molecular weight of AN-648/15596001 is 308.12 g/mol.
Where can I buy AN-648/15596001?
You can request a quote for AN-648/15596001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/15596001?
Yes, KEHONG BIO provides custom synthesis services for AN-648/15596001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.