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Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-
TL;DR: Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- (CAS 35438-85-8) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]benzene
Also Known As: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]benzene, 4-(4-Isocyanatobenzyl)cyclohexyl isocyanate, Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-, 4-[(4-Isocyanatocyclohexyl)methyl]phenyl isocyanate, Benzene, 1-isocyanato-4-((4-isocyanatocyclohexyl)methyl)-
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 35438-85-8 |
|---|---|
| SMILES | C1CC(CCC1CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | WFISGHNZCOYXMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- (CAS 35438-85-8), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]benzene.
Chemical Property Profile of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-
Property Insights of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-
The XLogP value of 5.2 indicates that Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-?
The CAS number of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- is 35438-85-8.
What is the molecular formula of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-?
The molecular formula of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- is C15H16N2O2.
What is the molecular weight of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-?
The molecular weight of Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- is 256.12 g/mol.
Where can I buy Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-?
You can request a quote for Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.