2-Isocyanatoethyl propionate
TL;DR: 2-Isocyanatoethyl propionate (CAS 893-73-2) is a chemical compound with molecular formula CCC(=O)OCCN=C=O and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatoethyl propanoate
Also Known As: 2-Isocyanatoethyl propionate, 2-isocyanatoethyl propanoate, isocyanatoethyl propionate, 2-Isocyanatoethanol propanoate (ester), 2-(isocyanato)ethyl propionate
| Molecular Formula | CCC(=O)OCCN=C=O |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 893-73-2 |
|---|---|
| SMILES | CCC(=O)OCCN=C=O |
| InChIKey | XORYIVGDQQWQCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isocyanatoethyl propionate (CAS 893-73-2), with molecular formula CCC(=O)OCCN=C=O and molecular weight 143.06 g/mol. IUPAC: 2-isocyanatoethyl propanoate.
Chemical Property Profile of 2-Isocyanatoethyl propionate
Property Insights of 2-Isocyanatoethyl propionate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanatoethyl propionate. With a topological polar surface area (TPSA) of 55.7 Ų, 2-Isocyanatoethyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanatoethyl propionate 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 2-Isocyanatoethyl propionate?
The CAS number of 2-Isocyanatoethyl propionate is 893-73-2.
What is the molecular formula of 2-Isocyanatoethyl propionate?
The molecular formula of 2-Isocyanatoethyl propionate is CCC(=O)OCCN=C=O.
What is the molecular weight of 2-Isocyanatoethyl propionate?
The molecular weight of 2-Isocyanatoethyl propionate is 143.06 g/mol.
Where can I buy 2-Isocyanatoethyl propionate?
You can request a quote for 2-Isocyanatoethyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanatoethyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanatoethyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.