2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene
TL;DR: 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene (CAS 125210-89-1) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)ethenylidene]butanedinitrile
Also Known As: 2,3-DMBD, Sid 706887, 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene, Butanedinitrile, ((4-methoxyphenyl)methylene)methylene-, (Z)-, 2-[2-(4-methoxyphenyl)ethenylidene]butanedinitrile
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 125210-89-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C=C(CC#N)C#N |
| InChIKey | JJOYNCBCVLMZSU-UHFFFAOYSA-N |
Product Overview
2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene (CAS 125210-89-1), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)ethenylidene]butanedinitrile.
Chemical Property Profile of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene
Property Insights of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene. With a topological polar surface area (TPSA) of 56.8 Ų, 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene 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-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene?
The CAS number of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene is 125210-89-1.
What is the molecular formula of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene?
The molecular formula of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene is C13H10N2O.
What is the molecular weight of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene?
The molecular weight of 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene is 210.08 g/mol.
Where can I buy 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene?
You can request a quote for 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diisocyano-1-(4-methoxyphenyl)buta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.