Butane-1,4-diol;1,6-diisocyanatohexane
TL;DR: Butane-1,4-diol;1,6-diisocyanatohexane (CAS 25748-74-7) is a chemical compound with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,6-diisocyanatohexane
Also Known As: Polyurethane Y-299, Duranate exp-D 101, butane-1,4-diol- 1,6-diisocyanatohexane(1:1), butane-1,4-diol;1,6-diisocyanatohexane, butane-1,4-diol; 1,6-diisocyanatohexane
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 0.9696 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.15796 |
| Heavy Atoms | 18 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 25748-74-7 |
|---|---|
| SMILES | C(CCCN=C=O)CCN=C=O.C(CCO)CO |
| InChIKey | DBVNLBRLOULOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane-1,4-diol;1,6-diisocyanatohexane (CAS 25748-74-7), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: butane-1,4-diol;1,6-diisocyanatohexane.
Chemical Property Profile of Butane-1,4-diol;1,6-diisocyanatohexane
Property Insights of Butane-1,4-diol;1,6-diisocyanatohexane
The XLogP value of 0.9696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diol;1,6-diisocyanatohexane. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Butane-1,4-diol;1,6-diisocyanatohexane. Following Lipinski's Rule of Five, Butane-1,4-diol;1,6-diisocyanatohexane has 2 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 Butane-1,4-diol;1,6-diisocyanatohexane?
The CAS number of Butane-1,4-diol;1,6-diisocyanatohexane is 25748-74-7.
What is the molecular formula of Butane-1,4-diol;1,6-diisocyanatohexane?
The molecular formula of Butane-1,4-diol;1,6-diisocyanatohexane is C12H22N2O4.
What is the molecular weight of Butane-1,4-diol;1,6-diisocyanatohexane?
The molecular weight of Butane-1,4-diol;1,6-diisocyanatohexane is 258.16 g/mol.
Where can I buy Butane-1,4-diol;1,6-diisocyanatohexane?
You can request a quote for Butane-1,4-diol;1,6-diisocyanatohexane 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;1,6-diisocyanatohexane?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diol;1,6-diisocyanatohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.