![({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile structure](/static/products/921/92199-03-6.png)
({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile
TL;DR: ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile (CAS 92199-03-6) is a chemical compound with molecular formula C14H13I2N3 and molecular weight 476.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-iodoethyl)amino]phenyl]methylidene]propanedinitrile
Also Known As: 2-(4-(Bis(2-iodoethyl)amino)benzylidene)malononitrile, {4-[bis(2-iodoethyl)amino]benzylidene}propanedinitrile, ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile, 2-[[4-[bis(2-iodoethyl)amino]phenyl]methylidene]propanedinitrile, methyl 3-(4-{[ethyl(2-hydroxyethyl)amino]methyl}phenyl)propanoate
| Molecular Formula | C14H13I2N3 |
|---|---|
| Molecular Weight | 476.92 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.9199 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 92199-03-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)N(CCI)CCI |
| InChIKey | JEMPHGAOQKRMPF-UHFFFAOYSA-N |
Product Overview
({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile (CAS 92199-03-6), with molecular formula C14H13I2N3 and molecular weight 476.92 g/mol. IUPAC: 2-[[4-[bis(2-iodoethyl)amino]phenyl]methylidene]propanedinitrile.
Chemical Property Profile of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile
Property Insights of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile
The XLogP value of 4.3 indicates that ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile has 0 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 ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile?
The CAS number of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile is 92199-03-6.
What is the molecular formula of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile?
The molecular formula of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile is C14H13I2N3.
What is the molecular weight of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile?
The molecular weight of ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile is 476.92 g/mol.
Where can I buy ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile?
You can request a quote for ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for ({4-[Bis(2-iodoethyl)amino]phenyl}methylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.