Benzenemethanol,3-iodo-2-methyl
TL;DR: Benzenemethanol,3-iodo-2-methyl (CAS 76351-88-7) is a chemical compound with molecular formula C22H26BrClFN3O2 and molecular weight 497.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-bromo-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide;hydrochloride
Also Known As: Benzenemethanol,3-iodo-2-methyl, beta-3-((4-Amino-5-bromo-2-methoxy)benzoyl)amino N-p-fluorobenzyl nortropane chlorhydrate, 4-amino-5-bromo-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide hydrochloride, Benzamide, 4-amino-5-bromo-N-(8-((4-fluorophenyl)methyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-methoxy-, monohydrochloride, exo-, 4-amino-5-bromo-N-[8-[ methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methoxy-benzamidehydrochloride
| Molecular Formula | C22H26BrClFN3O2 |
|---|---|
| Molecular Weight | 497.09 g/mol |
| LogP | 4.5262 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0881 |
| Heavy Atoms | 30 |
| Complexity | 898.0008 |
Chemical Identifiers
| CAS Number | 76351-88-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)F)Br)N.Cl |
Product Overview
Benzenemethanol,3-iodo-2-methyl (CAS 76351-88-7), with molecular formula C22H26BrClFN3O2 and molecular weight 497.09 g/mol. IUPAC: 4-amino-5-bromo-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide;hydrochloride.
Chemical Property Profile of Benzenemethanol,3-iodo-2-methyl
Property Insights of Benzenemethanol,3-iodo-2-methyl
The XLogP value of 4.5262 indicates that Benzenemethanol,3-iodo-2-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol,3-iodo-2-methyl. Following Lipinski's Rule of Five, Benzenemethanol,3-iodo-2-methyl has 2 hydrogen bond donor(s) and 4 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 Benzenemethanol,3-iodo-2-methyl?
The CAS number of Benzenemethanol,3-iodo-2-methyl is 76351-88-7.
What is the molecular formula of Benzenemethanol,3-iodo-2-methyl?
The molecular formula of Benzenemethanol,3-iodo-2-methyl is C22H26BrClFN3O2.
What is the molecular weight of Benzenemethanol,3-iodo-2-methyl?
The molecular weight of Benzenemethanol,3-iodo-2-methyl is 497.09 g/mol.
Where can I buy Benzenemethanol,3-iodo-2-methyl?
You can request a quote for Benzenemethanol,3-iodo-2-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol,3-iodo-2-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol,3-iodo-2-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.