Benzocycloalkyl amine
TL;DR: Benzocycloalkyl amine (CAS 132565-29-8) is a chemical compound with molecular formula C34H42N2O4 and molecular weight 542.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-oxo-1-phenyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]hexan-2-yl]carbamate
Also Known As: Benzocycloalkyl amine, Benzocycloalkyl Amines deriv. 6, (+/-)N-t-Butyloxycarbonyl-5-amino-1,6-diphenyl-4-hydroxy-2-(N-tetralinacetylamino)-hexane, Carbamic acid, [2-hydroxy-5-oxo-1,4-bis(phenylmethyl)-5-[(1,2,3,4-tetrahydro-1-naphthalenyl)amino]pentyl]-, 1,1-dimethylethyl ester, [1S-[1R*(1R*,2R*,4S*)]]-, tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-oxo-5-[[(1S)-tetralin-1-yl]amino]pentyl]carbamate
| Molecular Formula | C34H42N2O4 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 5.9261 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.31445 |
| Heavy Atoms | 40 |
| Complexity | 1239.5564 |
Chemical Identifiers
| CAS Number | 132565-29-8 |
|---|---|
| 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]3CCCC4=CC=CC=C34)O |
Product Overview
Benzocycloalkyl amine (CAS 132565-29-8), with molecular formula C34H42N2O4 and molecular weight 542.31 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-oxo-1-phenyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]hexan-2-yl]carbamate.
Chemical Property Profile of Benzocycloalkyl amine
Property Insights of Benzocycloalkyl amine
The XLogP value of 5.9261 indicates that Benzocycloalkyl amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzocycloalkyl amine. Following Lipinski's Rule of Five, Benzocycloalkyl amine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzocycloalkyl amine?
The CAS number of Benzocycloalkyl amine is 132565-29-8.
What is the molecular formula of Benzocycloalkyl amine?
The molecular formula of Benzocycloalkyl amine is C34H42N2O4.
What is the molecular weight of Benzocycloalkyl amine?
The molecular weight of Benzocycloalkyl amine is 542.31 g/mol.
Where can I buy Benzocycloalkyl amine?
You can request a quote for Benzocycloalkyl amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzocycloalkyl amine?
Yes, KEHONG BIO provides custom synthesis services for Benzocycloalkyl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.