1,12-Diisocyanatododecane
TL;DR: 1,12-Diisocyanatododecane (CAS 13879-35-1) is a chemical compound with molecular formula C14H24N2O2 and molecular weight 252.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,12-diisocyanatododecane
Also Known As: 1,12-Diisocyanatododecane, Dodecane, 1,12-diisocyanato-, DDI cpd, dodecamethylene diisocyanate, 1,12-di-isocyanatododecane
| Molecular Formula | C14H24N2O2 |
|---|---|
| Molecular Weight | 252.18 g/mol |
| LogP | 3.559 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 252.18378 |
| Heavy Atoms | 18 |
| Complexity | 238.96756 |
Chemical Identifiers
| CAS Number | 13879-35-1 |
|---|---|
| SMILES | C(CCCCCCN=C=O)CCCCCN=C=O |
Product Overview
1,12-Diisocyanatododecane (CAS 13879-35-1), with molecular formula C14H24N2O2 and molecular weight 252.18 g/mol. IUPAC: 1,12-diisocyanatododecane.
Chemical Property Profile of 1,12-Diisocyanatododecane
Property Insights of 1,12-Diisocyanatododecane
The XLogP value of 3.559 indicates that 1,12-Diisocyanatododecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 1,12-Diisocyanatododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,12-Diisocyanatododecane 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 1,12-Diisocyanatododecane?
The CAS number of 1,12-Diisocyanatododecane is 13879-35-1.
What is the molecular formula of 1,12-Diisocyanatododecane?
The molecular formula of 1,12-Diisocyanatododecane is C14H24N2O2.
What is the molecular weight of 1,12-Diisocyanatododecane?
The molecular weight of 1,12-Diisocyanatododecane is 252.18 g/mol.
Where can I buy 1,12-Diisocyanatododecane?
You can request a quote for 1,12-Diisocyanatododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,12-Diisocyanatododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,12-Diisocyanatododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.