![2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/4452/445259-83-6.webp)
2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 445259-83-6) is a chemical compound with molecular formula C27H28BrN3O and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-AMINO-4-{5-[(2-BROMOPHENOXY)METHYL]-2,4-DIMETHYLPHENYL}-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[B]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C27H28BrN3O |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 6.81982 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.14157 |
| Heavy Atoms | 32 |
| Complexity | 1196.4814 |
Chemical Identifiers
| CAS Number | 445259-83-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1COC2=CC=CC=C2Br)C3=C(C(=NC4=C3CCCCCC4)N)C#N)C |
Product Overview
2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 445259-83-6), with molecular formula C27H28BrN3O and molecular weight 489.14 g/mol. IUPAC: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 6.81982 indicates that 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has 1 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 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 445259-83-6.
What is the molecular formula of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C27H28BrN3O.
What is the molecular weight of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 489.14 g/mol.
Where can I buy 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.