N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine
TL;DR: N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine (CAS 400074-77-3) is a chemical compound with molecular formula C24H24ClNO2 and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]spiro[3,1-benzoxazine-4,2'-adamantane]-2-one
Also Known As: N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine, 11D-511, 1-[(2-chlorophenyl)methyl]spiro[3,1-benzoxazine-4,2'-adamantane]-2-one, 1'-[(2-chlorophenyl)methyl]-1',2'-dihydrospiro[adamantane-2,4'-[3,1]benzoxazine]-2'-one
| Molecular Formula | C24H24ClNO2 |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 6.1482 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.14957 |
| Heavy Atoms | 28 |
| Complexity | 927.1263 |
Chemical Identifiers
| CAS Number | 400074-77-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C34C5=CC=CC=C5N(C(=O)O4)CC6=CC=CC=C6Cl |
Product Overview
N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine (CAS 400074-77-3), with molecular formula C24H24ClNO2 and molecular weight 393.15 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]spiro[3,1-benzoxazine-4,2'-adamantane]-2-one.
Chemical Property Profile of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine
Property Insights of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine
The XLogP value of 6.1482 indicates that N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine?
The CAS number of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine is 400074-77-3.
What is the molecular formula of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine?
The molecular formula of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine is C24H24ClNO2.
What is the molecular weight of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine?
The molecular weight of N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine is 393.15 g/mol.
Where can I buy N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine?
You can request a quote for N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chlorobenzyl)spiro(2,2-adamantyl)-4-oxobenzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.