AP-845/42215633
TL;DR: AP-845/42215633 (CAS 620590-02-5) is a chemical compound with molecular formula C18H14BrClN2O3S2 and molecular weight 483.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]benzamide
Also Known As: AP-845/42215633, 4-bromo-N-(3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)benzamide, 4-bromo-N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]benzamide, 5-[2-(4-bromophenyl)-2-oxo-1-azaethylidene]-4-(4-chlorophenyl)-1,3,4,6,3a,6a-h exahydro-2,6-dithia-4-azapentalene-2,2-dione
| Molecular Formula | C18H14BrClN2O3S2 |
|---|---|
| Molecular Weight | 483.93 g/mol |
| LogP | 4.0177 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 483.93176 |
| Heavy Atoms | 27 |
| Complexity | 1023.5772 |
Chemical Identifiers
| CAS Number | 620590-02-5 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)C3=CC=C(C=C3)Br)N2C4=CC=C(C=C4)Cl |
Product Overview
AP-845/42215633 (CAS 620590-02-5), with molecular formula C18H14BrClN2O3S2 and molecular weight 483.93 g/mol. IUPAC: 4-bromo-N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]benzamide.
Chemical Property Profile of AP-845/42215633
Property Insights of AP-845/42215633
The XLogP value of 4.0177 indicates that AP-845/42215633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-845/42215633. Following Lipinski's Rule of Five, AP-845/42215633 has 0 hydrogen bond donor(s) and 4 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 AP-845/42215633?
The CAS number of AP-845/42215633 is 620590-02-5.
What is the molecular formula of AP-845/42215633?
The molecular formula of AP-845/42215633 is C18H14BrClN2O3S2.
What is the molecular weight of AP-845/42215633?
The molecular weight of AP-845/42215633 is 483.93 g/mol.
Where can I buy AP-845/42215633?
You can request a quote for AP-845/42215633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-845/42215633?
Yes, KEHONG BIO provides custom synthesis services for AP-845/42215633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.