![[1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile structure](/static/products/894/89482-72-4.png)
[1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile
TL;DR: [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile (CAS 89482-72-4) is a chemical compound with molecular formula C14H11BrN2S2 and molecular weight 349.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
Also Known As: starbld0004627, [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile, 2-[1-(4-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile, I14-94220, 2-(1-(4-Bromophenyl)-3,3-bis(methylthio)allylidene)malononitrile
| Molecular Formula | C14H11BrN2S2 |
|---|---|
| Molecular Weight | 349.95 g/mol |
| LogP | 4.81726 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.9547 |
| Heavy Atoms | 19 |
| Complexity | 567.35736 |
Chemical Identifiers
| CAS Number | 89482-72-4 |
|---|---|
| SMILES | CSC(=CC(=C(C#N)C#N)C1=CC=C(C=C1)Br)SC |
Product Overview
[1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile (CAS 89482-72-4), with molecular formula C14H11BrN2S2 and molecular weight 349.95 g/mol. IUPAC: 2-[1-(4-bromophenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile
Property Insights of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile
The XLogP value of 4.81726 indicates that [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile has 0 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 [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile?
The CAS number of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile is 89482-72-4.
What is the molecular formula of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile?
The molecular formula of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile is C14H11BrN2S2.
What is the molecular weight of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile?
The molecular weight of [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile is 349.95 g/mol.
Where can I buy [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile?
You can request a quote for [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Bromophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-ylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.