Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
TL;DR: Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) (CAS 52136-47-7) is a chemical compound with molecular formula C21H32N2O4 and molecular weight 376.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
Also Known As: (C15-H22-N2-O2.C6-H10-O2)x-, 2-Oxepanone, polymer with 1,1'-methylenebis(4-isocyanatocyclohexane), 2-Oxepanone, polymer with 1,1'-methylenebis[4-isocyanatocyclohexane], Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1), 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one
| Molecular Formula | C21H32N2O4 |
|---|---|
| Molecular Weight | 376.24 g/mol |
| LogP | 4.2693 |
| Topological Polar Surface Area | 85.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.2362 |
| Heavy Atoms | 27 |
| Complexity | 490.38486 |
Chemical Identifiers
| CAS Number | 52136-47-7 |
|---|---|
| SMILES | C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O |
Product Overview
Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) (CAS 52136-47-7), with molecular formula C21H32N2O4 and molecular weight 376.24 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one.
Chemical Property Profile of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
Property Insights of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)
The XLogP value of 4.2693 indicates that Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1). Following Lipinski's Rule of Five, Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (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-isocyanatocyclohexane) (1/1)?
The CAS number of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is 52136-47-7.
What is the molecular formula of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
The molecular formula of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is C21H32N2O4.
What is the molecular weight of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
The molecular weight of Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) is 376.24 g/mol.
Where can I buy Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1)?
You can request a quote for Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (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-isocyanatocyclohexane) (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxepan-2-one--1,1'-methylenebis(4-isocyanatocyclohexane) (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.