![2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile structure](/static/products/4450/445031-67-4.webp)
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
TL;DR: 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445031-67-4) is a chemical compound with molecular formula C25H24ClN3O2 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-AMINO-4-{3-[(4-CHLOROPHENOXY)METHYL]-4-METHOXYPHENYL}-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]PYRIDIN-3-YL CYANIDE
| Molecular Formula | C25H24ClN3O2 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 5.71238 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.1557 |
| Heavy Atoms | 31 |
| Complexity | 1136.9845 |
Chemical Identifiers
| CAS Number | 445031-67-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=CC=C(C=C4)Cl |
Product Overview
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 445031-67-4), with molecular formula C25H24ClN3O2 and molecular weight 433.16 g/mol. IUPAC: 2-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Property Insights of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
The XLogP value of 5.71238 indicates that 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[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-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[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-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The CAS number of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 445031-67-4.
What is the molecular formula of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is C25H24ClN3O2.
What is the molecular weight of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 433.16 g/mol.
Where can I buy 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[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-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.