AN-023/41020976
TL;DR: AN-023/41020976 (CAS 433695-45-5) is a chemical compound with molecular formula C16H12FN3O2S and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-023/41020976, (5E)-1-(2-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(2-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(2-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C16H12FN3O2S |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 1.9955 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.06342 |
| Heavy Atoms | 23 |
| Complexity | 856.5152 |
Chemical Identifiers
| CAS Number | 433695-45-5 |
|---|---|
| SMILES | CN1C=CC=C1/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F |
Product Overview
AN-023/41020976 (CAS 433695-45-5), with molecular formula C16H12FN3O2S and molecular weight 329.06 g/mol. IUPAC: (5E)-1-(2-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-023/41020976
Property Insights of AN-023/41020976
The XLogP value of 1.9955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-023/41020976. With a topological polar surface area (TPSA) of 54.34 Ų, AN-023/41020976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/41020976 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-023/41020976?
The CAS number of AN-023/41020976 is 433695-45-5.
What is the molecular formula of AN-023/41020976?
The molecular formula of AN-023/41020976 is C16H12FN3O2S.
What is the molecular weight of AN-023/41020976?
The molecular weight of AN-023/41020976 is 329.06 g/mol.
Where can I buy AN-023/41020976?
You can request a quote for AN-023/41020976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/41020976?
Yes, KEHONG BIO provides custom synthesis services for AN-023/41020976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.