N-(5-bromo-2-methoxybenzyl)-2-adamantanamine
TL;DR: N-(5-bromo-2-methoxybenzyl)-2-adamantanamine (CAS 331970-85-5) is a chemical compound with molecular formula C18H24BrNO and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]adamantan-2-amine
Also Known As: N-(5-bromo-2-methoxybenzyl)-2-adamantanamine, BAS 00716799, N-[(5-bromo-2-methoxyphenyl)methyl]adamantan-2-amine, Adamantan-2-yl-(5-bromo-2-methoxy-benzyl)-amine, adamantan-2-yl[(5-bromo-2-methoxyphenyl)methyl]amine
| Molecular Formula | C18H24BrNO |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.372 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10413 |
| Heavy Atoms | 21 |
| Complexity | 501.94965 |
Chemical Identifiers
| CAS Number | 331970-85-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CNC2C3CC4CC(C3)CC2C4 |
Product Overview
N-(5-bromo-2-methoxybenzyl)-2-adamantanamine (CAS 331970-85-5), with molecular formula C18H24BrNO and molecular weight 349.10 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]adamantan-2-amine.
Chemical Property Profile of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine
Property Insights of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine
The XLogP value of 4.372 indicates that N-(5-bromo-2-methoxybenzyl)-2-adamantanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-(5-bromo-2-methoxybenzyl)-2-adamantanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-bromo-2-methoxybenzyl)-2-adamantanamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine?
The CAS number of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine is 331970-85-5.
What is the molecular formula of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine?
The molecular formula of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine is C18H24BrNO.
What is the molecular weight of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine?
The molecular weight of N-(5-bromo-2-methoxybenzyl)-2-adamantanamine is 349.10 g/mol.
Where can I buy N-(5-bromo-2-methoxybenzyl)-2-adamantanamine?
You can request a quote for N-(5-bromo-2-methoxybenzyl)-2-adamantanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-bromo-2-methoxybenzyl)-2-adamantanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-methoxybenzyl)-2-adamantanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.