![2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile structure](/static/products/3136/313670-97-2.webp)
2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
TL;DR: 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile (CAS 313670-97-2) is a chemical compound with molecular formula C11H7BrN2O and molecular weight 261.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile, 2-(3-Bromo-4-methoxybenzylidene)malononitrile, RARECHEM AL BX 0247, (3-BROMO-4-METHOXYBENZYLIDENE)MALONONITRILE, (3-bromo-4-methoxybenzylidene)propanedinitrile
| Molecular Formula | C11H7BrN2O |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.97418 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 313670-97-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C#N)Br |
| InChIKey | MYCUMQDZUIOCTJ-UHFFFAOYSA-N |
Product Overview
2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile (CAS 313670-97-2), with molecular formula C11H7BrN2O and molecular weight 261.97 g/mol. IUPAC: 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
Property Insights of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 56.8 Ų, 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Bromo-4-methoxyphenyl)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 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile is 313670-97-2.
What is the molecular formula of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile is C11H7BrN2O.
What is the molecular weight of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile is 261.97 g/mol.
Where can I buy 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.