3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
TL;DR: 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid (CAS 102366-81-4) is a chemical compound with molecular formula C21H34N2O3 and molecular weight 362.25696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-ditert-butyl-3-phenylmethoxyhexanediamide
Also Known As: N,N-Di-tert-butyl-beta-benzyloxyadipamide, ADIPAMIDE, beta-BENZYLOXY-N,N'-DI-(tert-BUTYL)-, 3-(Benzyloxy)-N,N -di(tert-butyl)adipamide, N,N'-ditert-butyl-3-phenylmethoxyhexanediamide, 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
Technical Specifications
| Molecular Formula | C21H34N2O3 |
| Molecular Weight | 362.25696 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 362.25696 Da |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
| SMILES | CC(C)(C)NC(=O)CCC(CC(=O)NC(C)(C)C)OCC1=CC=CC=C1 |
| InChIKey | RSBOUKZJWFVNSW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
Property Insights of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid. Following Lipinski's Rule of Five, 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid has 2 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 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid?
The CAS number of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid is 102366-81-4.
What is the molecular formula of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid?
The molecular formula of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid is C21H34N2O3.
What is the molecular weight of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid?
The molecular weight of 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid is 362.25696 g/mol.
Where can I buy 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid?
You can request a quote for 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Benzyloxy)-N~1~,N~6~-di-tert-butylhexanediimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.