![Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one structure](/static/products/6825/68259-27-8.webp)
Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one
TL;DR: Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one (CAS 68259-27-8) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one
Also Known As: (C15-H10-N2-O2.C6-H10-O2.C4-H10-O2)x-, Methylenediphenyldiisocyanate, 1,4-butanediol, caprolactone polymer, 2-Oxepanone, 1,4-butanediol, methylenediphenyldiisocyanate polymer, 2-Oxepanone, polymer with 1,4-butanediol and 1,1'-methylenebis[isocyanatobenzene], 1,1'-Methylenebis(isocyanatobenzene), 1,4-butanediol, epsilon-caprolactone polymer
| Molecular Formula | C25H30N2O6 |
|---|---|
| Molecular Weight | 454.21 g/mol |
| LogP | 4.0668 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.2104 |
| Heavy Atoms | 33 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 68259-27-8 |
|---|---|
| SMILES | C1CCC(=O)OCC1.C1=CC(=CC(=C1)N=C=O)CC2=CC(=CC=C2)N=C=O.C(CCO)CO |
| InChIKey | AUZMRGGTQRZOHQ-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one (CAS 68259-27-8), with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol. IUPAC: butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one.
Chemical Property Profile of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one
Property Insights of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one
The XLogP value of 4.0668 indicates that Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one. Following Lipinski's Rule of Five, Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one has 2 hydrogen bond donor(s) and 8 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 Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one?
The CAS number of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one is 68259-27-8.
What is the molecular formula of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one?
The molecular formula of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one is C25H30N2O6.
What is the molecular weight of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one?
The molecular weight of Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one is 454.21 g/mol.
Where can I buy Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one?
You can request a quote for Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diol;1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;oxepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.