AF-399/41726193
TL;DR: AF-399/41726193 (CAS 573706-78-2) is a chemical compound with molecular formula C18H19BrN2O2S and molecular weight 406.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-bromo-1,3-benzothiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/41726193, N-(6-bromo-1,3-benzothiazol-2-yl)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide, N-(6-bromo-1,3-benzothiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, (1R,4R)-N-(6-bromobenzo[d]thiazol-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, N-[(2Z)-6-bromo-1,3-benzothiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Technical Specifications
| Molecular Formula | C18H19BrN2O2S |
| Molecular Weight | 406.03506 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.03506 Da |
| Heavy Atoms | 24 |
| Complexity | 598.0 |
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br)C)C |
| InChIKey | UIENINQDAPALPQ-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/41726193
Property Insights of AF-399/41726193
The XLogP value of 3.9 indicates that AF-399/41726193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41726193. Following Lipinski's Rule of Five, AF-399/41726193 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 AF-399/41726193?
The CAS number of AF-399/41726193 is 573706-78-2.
What is the molecular formula of AF-399/41726193?
The molecular formula of AF-399/41726193 is C18H19BrN2O2S.
What is the molecular weight of AF-399/41726193?
The molecular weight of AF-399/41726193 is 406.03506 g/mol.
Where can I buy AF-399/41726193?
You can request a quote for AF-399/41726193 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/41726193?
Yes, CoreyChem provides custom synthesis services for AF-399/41726193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.