Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
TL;DR: Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) (CAS 6946-67-4) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one
Also Known As: (C15-H10-N2-O2.C6-H10-O2)x-, oxepan-2-one- 1,1'-methanediylbis(4-isocyanatobenzene)(1:1), 2-Oxepanone, polymer with 1,1'-methylenebis(4-isocyanatobenzene), 2-Oxepanone, polymer with 1,1'-methylenebis[4-isocyanatobenzene], Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 4.3156 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 6946-67-4 |
|---|---|
| SMILES | C1CCC(=O)OCC1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | XUTVEVNXUSBWIN-UHFFFAOYSA-N |
Product Overview
Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) (CAS 6946-67-4), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one.
Chemical Property Profile of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
Property Insights of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)
The XLogP value of 4.3156 indicates that Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1). Following Lipinski's Rule of Five, Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) has 0 hydrogen bond donor(s) and 6 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 Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)?
The CAS number of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) is 6946-67-4.
What is the molecular formula of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)?
The molecular formula of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) is C21H20N2O4.
What is the molecular weight of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)?
The molecular weight of Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) is 364.14 g/mol.
Where can I buy Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)?
You can request a quote for Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxepan-2-one--1,1'-methylenebis(4-isocyanatobenzene) (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.