![2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile structure](/static/products/5580/5580-53-0.webp)
2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile (CAS 5580-53-0) is a chemical compound with molecular formula C22H26BrN3 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
| Molecular Formula | C22H26BrN3 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 6.18438 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.131 |
| Heavy Atoms | 26 |
| Complexity | 807.76514 |
Chemical Identifiers
| CAS Number | 5580-53-0 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)Br |
Product Overview
2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile (CAS 5580-53-0), with molecular formula C22H26BrN3 and molecular weight 411.13 g/mol. IUPAC: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
The XLogP value of 6.18438 indicates that 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile is 5580-53-0.
What is the molecular formula of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile is C22H26BrN3.
What is the molecular weight of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile is 411.13 g/mol.
Where can I buy 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[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-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.