![2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/3308/330836-29-8.webp)
2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 330836-29-8) is a chemical compound with molecular formula C21H25N3 and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-propan-2-ylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-(4-propan-2-ylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-amino-4-[4-(propan-2-yl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-AMINO-4-[4-(PROPAN-2-YL)PHENYL]-5H,6H,7H,8H,9H,10H-CYCLOOCTA[B]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C21H25N3 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 4.98488 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.20483 |
| Heavy Atoms | 24 |
| Complexity | 767.15137 |
Chemical Identifiers
| CAS Number | 330836-29-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N |
Product Overview
2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 330836-29-8), with molecular formula C21H25N3 and molecular weight 319.20 g/mol. IUPAC: 2-amino-4-(4-propan-2-ylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 4.98488 indicates that 2-amino-4-(4-isopropylphenyl)-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 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 330836-29-8.
What is the molecular formula of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C21H25N3.
What is the molecular weight of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 319.20 g/mol.
Where can I buy 2-amino-4-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-(4-isopropylphenyl)-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-(4-isopropylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-isopropylphenyl)-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.