Benzilic acid, 1,3-diazaadamant-6-yl ester
TL;DR: Benzilic acid, 1,3-diazaadamant-6-yl ester (CAS 102516-82-5) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diazatricyclo[3.3.1.13,7]decan-6-yl 2-hydroxy-2,2-diphenylacetate
Also Known As: 1,3-Diaza-6-adamantyl benzilate, Benzilic acid, 1,3-diazaadamant-6-yl ester, Benzilic acid 1,3-diazaadamantan-6-yl ester, 1,3-diazatricyclo[3.3.1.13,7]dec-6-yl hydroxy(diphenyl)acetate, 1,3-Diazatricyclo[3.3.1.1~3,7~]decan-6-yl hydroxydi(phenyl)acetate
Technical Specifications
| Molecular Formula | C22H24N2O3 |
| Molecular Weight | 364.17868 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.17868 Da |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
| SMILES | C1C2CN3CC(C2OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)CN1C3 |
| InChIKey | VFKSRNPUBDKBLL-UHFFFAOYSA-N |
Chemical Property Profile of Benzilic acid, 1,3-diazaadamant-6-yl ester
Property Insights of Benzilic acid, 1,3-diazaadamant-6-yl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzilic acid, 1,3-diazaadamant-6-yl ester. With a topological polar surface area (TPSA) of 53.0 Ų, Benzilic acid, 1,3-diazaadamant-6-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 1,3-diazaadamant-6-yl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzilic acid, 1,3-diazaadamant-6-yl ester?
The CAS number of Benzilic acid, 1,3-diazaadamant-6-yl ester is 102516-82-5.
What is the molecular formula of Benzilic acid, 1,3-diazaadamant-6-yl ester?
The molecular formula of Benzilic acid, 1,3-diazaadamant-6-yl ester is C22H24N2O3.
What is the molecular weight of Benzilic acid, 1,3-diazaadamant-6-yl ester?
The molecular weight of Benzilic acid, 1,3-diazaadamant-6-yl ester is 364.17868 g/mol.
Where can I buy Benzilic acid, 1,3-diazaadamant-6-yl ester?
You can request a quote for Benzilic acid, 1,3-diazaadamant-6-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzilic acid, 1,3-diazaadamant-6-yl ester?
Yes, CoreyChem provides custom synthesis services for Benzilic acid, 1,3-diazaadamant-6-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.