Propanedinitrile, (3-methoxy-2-propenylidene)-
TL;DR: Propanedinitrile, (3-methoxy-2-propenylidene)- (CAS 538-45-4) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile
Also Known As: 3-Methoxyallylidenemalonitrile, (3-Methoxyallylidene)malononitrile, KST-1A5536, EINECS 258-129-5, (3-methoxyprop-2-en-1-ylidene)propanedinitrile
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 1.12006 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 210.97112 |
Chemical Identifiers
| CAS Number | 538-45-4 |
|---|---|
| SMILES | CO/C=C/C=C(C#N)C#N |
Product Overview
Propanedinitrile, (3-methoxy-2-propenylidene)- (CAS 538-45-4), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, (3-methoxy-2-propenylidene)-
Property Insights of Propanedinitrile, (3-methoxy-2-propenylidene)-
The XLogP value of 1.12006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (3-methoxy-2-propenylidene)-. With a topological polar surface area (TPSA) of 56.81 Ų, Propanedinitrile, (3-methoxy-2-propenylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (3-methoxy-2-propenylidene)- 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 Propanedinitrile, (3-methoxy-2-propenylidene)-?
The CAS number of Propanedinitrile, (3-methoxy-2-propenylidene)- is 538-45-4.
What is the molecular formula of Propanedinitrile, (3-methoxy-2-propenylidene)-?
The molecular formula of Propanedinitrile, (3-methoxy-2-propenylidene)- is C7H6N2O.
What is the molecular weight of Propanedinitrile, (3-methoxy-2-propenylidene)-?
The molecular weight of Propanedinitrile, (3-methoxy-2-propenylidene)- is 134.05 g/mol.
Where can I buy Propanedinitrile, (3-methoxy-2-propenylidene)-?
You can request a quote for Propanedinitrile, (3-methoxy-2-propenylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (3-methoxy-2-propenylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (3-methoxy-2-propenylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.