己二酸甲基乙烯酯
TL;DR: 己二酸甲基乙烯酯 (CAS 2969-87-1) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸甲基乙烯酯
6-O-ethenyl 1-O-methyl hexanedioate
Also Known As: Vinyl methyladipate, Methyl vinyl adipate, VINYLMETHYLADIPATE, ADIPIC ACID, METHYL VINYL ESTER, Ethenyl methyl hexanedioate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 2969-87-1 |
|---|---|
| SMILES | COC(=O)CCCCC(=O)OC=C |
| InChIKey | ABUZDQCQXDZFRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸甲基乙烯酯 (CAS 2969-87-1), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 6-O-ethenyl 1-O-methyl hexanedioate.
Chemical Property Profile of 己二酸甲基乙烯酯
Property Insights of 己二酸甲基乙烯酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸甲基乙烯酯. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸甲基乙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸甲基乙烯酯 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 己二酸甲基乙烯酯?
The CAS number of 己二酸甲基乙烯酯 is 2969-87-1.
What is the molecular formula of 己二酸甲基乙烯酯?
The molecular formula of 己二酸甲基乙烯酯 is C9H14O4.
What is the molecular weight of 己二酸甲基乙烯酯?
The molecular weight of 己二酸甲基乙烯酯 is 186.09 g/mol.
Where can I buy 己二酸甲基乙烯酯?
You can request a quote for 己二酸甲基乙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸甲基乙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸甲基乙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.