![{4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile structure](/static/products/834/834897-25-5.png)
{4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile
TL;DR: {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile (CAS 834897-25-5) is a chemical compound with molecular formula C17H17IN2O2 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(benzylamino)methyl]-2-iodo-6-methoxyphenoxy]acetonitrile
Also Known As: CBKinase1_007930, CBKinase1_020330, {4-[(benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile, 2-[2-Iodo-6-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]acetonitrile, BRD-K69207504-003-01-9
| Molecular Formula | C17H17IN2O2 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 3.49198 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03348 |
| Heavy Atoms | 22 |
| Complexity | 653.6988 |
Chemical Identifiers
| CAS Number | 834897-25-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)I)OCC#N |
Product Overview
{4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile (CAS 834897-25-5), with molecular formula C17H17IN2O2 and molecular weight 408.03 g/mol. IUPAC: 2-[4-[(benzylamino)methyl]-2-iodo-6-methoxyphenoxy]acetonitrile.
Chemical Property Profile of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile
Property Insights of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile
The XLogP value of 3.49198 indicates that {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.28 Ų, {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile has 1 hydrogen bond donor(s) and 4 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 {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile?
The CAS number of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile is 834897-25-5.
What is the molecular formula of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile?
The molecular formula of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile is C17H17IN2O2.
What is the molecular weight of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile?
The molecular weight of {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile is 408.03 g/mol.
Where can I buy {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile?
You can request a quote for {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {4-[(Benzylamino)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.