(1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene
TL;DR: (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene (CAS 68951-56-4) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene
Also Known As: (C9-H6-N2-O2.C4-H6)x-, Hydroxy-terminated polybutadiene, 2,4-tolylenediisocyanate polymer, (1E)-buta-1,3-dien-1-ol; 2,4-diisocyanato-1-methylbenzene, Benzene, 2,4-diisocyanato-1-methyl-, polymers with hydroxy-terminated polybutadiene, 2,4-Toluenediisocyanate, polybutadiene (hydroxy terminated) reaction product
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.17372 |
| Topological Polar Surface Area | 79.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 523.03796 |
Chemical Identifiers
| CAS Number | 68951-56-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.C=C/C=C/O |
Product Overview
(1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene (CAS 68951-56-4), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene.
Chemical Property Profile of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene
Property Insights of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene
The XLogP value of 3.17372 indicates that (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene. Following Lipinski's Rule of Five, (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene has 1 hydrogen bond donor(s) and 5 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 (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene?
The CAS number of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene is 68951-56-4.
What is the molecular formula of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene?
The molecular formula of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene is C13H12N2O3.
What is the molecular weight of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene?
The molecular weight of (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene is 244.08 g/mol.
Where can I buy (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene?
You can request a quote for (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for (1E)-buta-1,3-dien-1-ol;2,4-diisocyanato-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.