Benzocycloalkyl amine
TL;DR: Benzocycloalkyl amine (CAS 132619-51-3) is a chemical compound with molecular formula C33H40N2O5 and molecular weight 544.2937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: Benzocycloalkyl amine, Benzocycloalkyl Amines deriv. 10, N-t-Butyloxycarbonyl-5-amino-1,6-diphenyl-4-hydroxy-2-(2-hydroxyindanacetylamino)-hexane, L 685434, Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1R-(1a(1S*,2S*,4R*),2a))-
Technical Specifications
| Molecular Formula | C33H40N2O5 |
| Molecular Weight | 544.2937 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 544.2937 Da |
| Heavy Atoms | 40 |
| Complexity | 801.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O)O |
| InChIKey | ZJBUCZFZQXPYFC-VQXQMPIVSA-N |
Chemical Property Profile of Benzocycloalkyl amine
Property Insights of Benzocycloalkyl amine
The XLogP value of 4.9 indicates that Benzocycloalkyl amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzocycloalkyl amine. Following Lipinski's Rule of Five, Benzocycloalkyl amine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzocycloalkyl amine?
The CAS number of Benzocycloalkyl amine is 132619-51-3.
What is the molecular formula of Benzocycloalkyl amine?
The molecular formula of Benzocycloalkyl amine is C33H40N2O5.
What is the molecular weight of Benzocycloalkyl amine?
The molecular weight of Benzocycloalkyl amine is 544.2937 g/mol.
Where can I buy Benzocycloalkyl amine?
You can request a quote for Benzocycloalkyl amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzocycloalkyl amine?
Yes, CoreyChem provides custom synthesis services for Benzocycloalkyl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.