A3416/0144932
TL;DR: A3416/0144932 (CAS 696631-77-3) is a chemical compound with molecular formula C20H24BrN3O2 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-bromo-5,7-diethyl-1'-methylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
Also Known As: A3416/0144932, 5'-bromo-5,7-diethyl-1'-methyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione, 5'-bromo-5,7-diethyl-1'-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione, (1r,5R,7S)-5'-bromo-5,7-diethyl-1'-methyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
| Molecular Formula | C20H24BrN3O2 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 2.585 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.1052 |
| Heavy Atoms | 26 |
| Complexity | 809.45807 |
Chemical Identifiers
| CAS Number | 696631-77-3 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)Br)N(C4=O)C)CC |
Product Overview
A3416/0144932 (CAS 696631-77-3), with molecular formula C20H24BrN3O2 and molecular weight 417.11 g/mol. IUPAC: 5'-bromo-5,7-diethyl-1'-methylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
Chemical Property Profile of A3416/0144932
Property Insights of A3416/0144932
The XLogP value of 2.585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3416/0144932. With a topological polar surface area (TPSA) of 43.86 Ų, A3416/0144932 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3416/0144932 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 A3416/0144932?
The CAS number of A3416/0144932 is 696631-77-3.
What is the molecular formula of A3416/0144932?
The molecular formula of A3416/0144932 is C20H24BrN3O2.
What is the molecular weight of A3416/0144932?
The molecular weight of A3416/0144932 is 417.11 g/mol.
Where can I buy A3416/0144932?
You can request a quote for A3416/0144932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3416/0144932?
Yes, KEHONG BIO provides custom synthesis services for A3416/0144932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.