2-Propenoic acid, 2-isocyanatoethyl ester
TL;DR: 2-Propenoic acid, 2-isocyanatoethyl ester (CAS 117229-85-3) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatoethyl prop-2-enoate
Also Known As: 2-isocyanatoethyl acrylate, 2-isocyanatoethyl prop-2-enoate, 2-Isocyanatoethylacrylate, 2-acryloyloxyethyl isocyanate, 2-Propenoic acid, 2-isocyanatoethyl ester
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.0514 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 169.83174 |
Chemical Identifiers
| CAS Number | 117229-85-3 |
|---|---|
| SMILES | C=CC(=O)OCCN=C=O |
Product Overview
2-Propenoic acid, 2-isocyanatoethyl ester (CAS 117229-85-3), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: 2-isocyanatoethyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-isocyanatoethyl ester
Property Insights of 2-Propenoic acid, 2-isocyanatoethyl ester
The XLogP value of 0.0514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-isocyanatoethyl ester. With a topological polar surface area (TPSA) of 55.73 Ų, 2-Propenoic acid, 2-isocyanatoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-isocyanatoethyl ester 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-Propenoic acid, 2-isocyanatoethyl ester?
The CAS number of 2-Propenoic acid, 2-isocyanatoethyl ester is 117229-85-3.
What is the molecular formula of 2-Propenoic acid, 2-isocyanatoethyl ester?
The molecular formula of 2-Propenoic acid, 2-isocyanatoethyl ester is C6H7NO3.
What is the molecular weight of 2-Propenoic acid, 2-isocyanatoethyl ester?
The molecular weight of 2-Propenoic acid, 2-isocyanatoethyl ester is 141.04 g/mol.
Where can I buy 2-Propenoic acid, 2-isocyanatoethyl ester?
You can request a quote for 2-Propenoic acid, 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 2-Propenoic acid, 2-isocyanatoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-isocyanatoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.