Methyl 2,6-diisocyanatohexanoate
TL;DR: Methyl 2,6-diisocyanatohexanoate (CAS 4460-02-0) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-diisocyanatohexanoate
Also Known As: Methyl 2,6-diisocyanatohexanoate, Methyl 2,6-Diisocyanatocaproate, lysin diisocyanate, 2,6-diisocyanatohexanoic Acid, L-Lysine Methyl Ester Diisocyanate
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4460-02-0 |
|---|---|
| SMILES | COC(=O)C(CCCCN=C=O)N=C=O |
| InChIKey | AYLRODJJLADBOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,6-diisocyanatohexanoate (CAS 4460-02-0), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: methyl 2,6-diisocyanatohexanoate.
Chemical Property Profile of Methyl 2,6-diisocyanatohexanoate
Property Insights of Methyl 2,6-diisocyanatohexanoate
The XLogP value of 3.0 indicates that Methyl 2,6-diisocyanatohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,6-diisocyanatohexanoate. Following Lipinski's Rule of Five, Methyl 2,6-diisocyanatohexanoate 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 Methyl 2,6-diisocyanatohexanoate?
The CAS number of Methyl 2,6-diisocyanatohexanoate is 4460-02-0.
What is the molecular formula of Methyl 2,6-diisocyanatohexanoate?
The molecular formula of Methyl 2,6-diisocyanatohexanoate is C9H12N2O4.
What is the molecular weight of Methyl 2,6-diisocyanatohexanoate?
The molecular weight of Methyl 2,6-diisocyanatohexanoate is 212.08 g/mol.
Where can I buy Methyl 2,6-diisocyanatohexanoate?
You can request a quote for Methyl 2,6-diisocyanatohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-diisocyanatohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-diisocyanatohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.