甲基丙烯酸异氰基乙酯
TL;DR: 甲基丙烯酸异氰基乙酯 (CAS 30674-80-7) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基丙烯酸异氰基乙酯
2-isocyanatoethyl 2-methylprop-2-enoate
Also Known As: 2-Isocyanatoethyl methacrylate, Isocyanoethyl methacrylate, 2-isocyanatoethyl 2-methylprop-2-enoate, KARENZ MOI, isocyanatoethyl methacrylate
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 30674-80-7 |
|---|---|
| SMILES | CC(=C)C(=O)OCCN=C=O |
| InChIKey | RBQRWNWVPQDTJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基丙烯酸异氰基乙酯 (CAS 30674-80-7), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: 2-isocyanatoethyl 2-methylprop-2-enoate.
Chemical Property Profile of 甲基丙烯酸异氰基乙酯
Property Insights of 甲基丙烯酸异氰基乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基丙烯酸异氰基乙酯. With a topological polar surface area (TPSA) of 55.7 Ų, 甲基丙烯酸异氰基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基丙烯酸异氰基乙酯 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 甲基丙烯酸异氰基乙酯?
The CAS number of 甲基丙烯酸异氰基乙酯 is 30674-80-7.
What is the molecular formula of 甲基丙烯酸异氰基乙酯?
The molecular formula of 甲基丙烯酸异氰基乙酯 is C7H9NO3.
What is the molecular weight of 甲基丙烯酸异氰基乙酯?
The molecular weight of 甲基丙烯酸异氰基乙酯 is 155.06 g/mol.
Where can I buy 甲基丙烯酸异氰基乙酯?
You can request a quote for 甲基丙烯酸异氰基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基丙烯酸异氰基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基丙烯酸异氰基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.