![1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene structure](/static/products/4464/4464-33-9.webp)
1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
TL;DR: 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene (CAS 4464-33-9) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
Also Known As: Xanthocillin X dimethyl ether, Xanthocillin dimethyl ether, Xanthocillin X permethyl ether, Ethylene isocyanide, bis(p-methoxybenzylidene)-, Bis(p-methoxybenzylidene)ethylene isocyanide
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 27.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 4464-33-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)OC)[N+]#[C-])[N+]#[C-] |
| InChIKey | VJKZMXOJMQCHRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene (CAS 4464-33-9), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: 1-[2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene.
Chemical Property Profile of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
Property Insights of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
The XLogP value of 3.8 indicates that 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.2 Ų, 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene 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-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The CAS number of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is 4464-33-9.
What is the molecular formula of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The molecular formula of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is C20H16N2O2.
What is the molecular weight of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The molecular weight of 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is 316.12 g/mol.
Where can I buy 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
You can request a quote for 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.