AF-399/41623867
TL;DR: AF-399/41623867 (CAS 1005112-28-6) is a chemical compound with molecular formula C18H22BrNO3 and molecular weight 379.0783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]benzoate
Also Known As: AF-399/41623867, methyl 4-{[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hex-1-yl)carbonyl]amino}benzoate, F1716-0030, methyl 4-{6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-amido}benzoate, methyl 4-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]benzoate
Technical Specifications
| Molecular Formula | C18H22BrNO3 |
| Molecular Weight | 379.0783 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0783 Da |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
| SMILES | CC1(C2(CCC1(C2Br)C(=O)NC3=CC=C(C=C3)C(=O)OC)C)C |
| InChIKey | ZTGOHZQTJFQOJK-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/41623867
Property Insights of AF-399/41623867
The XLogP value of 3.7 indicates that AF-399/41623867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AF-399/41623867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41623867 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
What is the CAS number of AF-399/41623867?
The CAS number of AF-399/41623867 is 1005112-28-6.
What is the molecular formula of AF-399/41623867?
The molecular formula of AF-399/41623867 is C18H22BrNO3.
What is the molecular weight of AF-399/41623867?
The molecular weight of AF-399/41623867 is 379.0783 g/mol.
Where can I buy AF-399/41623867?
You can request a quote for AF-399/41623867 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/41623867?
Yes, CoreyChem provides custom synthesis services for AF-399/41623867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.