Butane, 1,4-diisocyanato-
TL;DR: Butane, 1,4-diisocyanato- (CAS 4538-37-8) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diisocyanatobutane
Also Known As: 1,4-Diisocyanatobutane, 1,4-Butanediisocyanate, Tetramethylene diisocyanate, 2,3-dibromohexane, 1,4-disocyanatobutane
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4538-37-8 |
|---|---|
| SMILES | C(CCN=C=O)CN=C=O |
| InChIKey | OVBFMUAFNIIQAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1,4-diisocyanato- (CAS 4538-37-8), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: 1,4-diisocyanatobutane.
Chemical Property Profile of Butane, 1,4-diisocyanato-
Property Insights of Butane, 1,4-diisocyanato-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 1,4-diisocyanato-. With a topological polar surface area (TPSA) of 58.9 Ų, Butane, 1,4-diisocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1,4-diisocyanato- has 0 hydrogen bond donor(s) and 4 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-diisocyanato-?
The CAS number of Butane, 1,4-diisocyanato- is 4538-37-8.
What is the molecular formula of Butane, 1,4-diisocyanato-?
The molecular formula of Butane, 1,4-diisocyanato- is C6H8N2O2.
What is the molecular weight of Butane, 1,4-diisocyanato-?
The molecular weight of Butane, 1,4-diisocyanato- is 140.06 g/mol.
Where can I buy Butane, 1,4-diisocyanato-?
You can request a quote for Butane, 1,4-diisocyanato- 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-diisocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1,4-diisocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.