Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester
TL;DR: Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester (CAS 69878-18-8) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatoethyl 2,6-diisocyanatohexanoate
Also Known As: 2-Isocyanatoethyl 2,6-diisocyanatohexanoate, L-LYSINE TRIISOCYANATE, Hexanoic acid,2,6-diisocyanato-, 2-isocyanatoethyl ester, Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester, 2,6-DIISOCYANATOHEXANOIC ACID 2-ISOCYANATOETHYL ESTER
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 69878-18-8 |
|---|---|
| SMILES | C(CCN=C=O)CC(C(=O)OCCN=C=O)N=C=O |
| InChIKey | GNDOBZLRZOCGAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester (CAS 69878-18-8), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: 2-isocyanatoethyl 2,6-diisocyanatohexanoate.
Chemical Property Profile of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester
Property Insights of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester
The XLogP value of 3.7 indicates that Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester has 0 hydrogen bond donor(s) and 8 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 Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester?
The CAS number of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester is 69878-18-8.
What is the molecular formula of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester?
The molecular formula of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester is C11H13N3O5.
What is the molecular weight of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester?
The molecular weight of Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester is 267.09 g/mol.
Where can I buy Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester?
You can request a quote for Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.