![2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/3981/398136-40-8.webp)
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 398136-40-8) is a chemical compound with molecular formula C26H26ClN3O2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, AE-848/15341095, 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-Amino-4-(4-((4-chlorophenyl)methoxy)-3-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine-3-carbonitrile, 2-AMINO-4-{4-[(4-CHLOROBENZYL)OXY]-3-METHOXYPHENYL}-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[B]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C26H26ClN3O2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 6.10248 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.17136 |
| Heavy Atoms | 32 |
| Complexity | 1153.2141 |
Chemical Identifiers
| CAS Number | 398136-40-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)OCC4=CC=C(C=C4)Cl |
Product Overview
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 398136-40-8), with molecular formula C26H26ClN3O2 and molecular weight 447.17 g/mol. IUPAC: 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 6.10248 indicates that 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-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 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 398136-40-8.
What is the molecular formula of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C26H26ClN3O2.
What is the molecular weight of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 447.17 g/mol.
Where can I buy 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-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-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-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.