Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester
TL;DR: Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester (CAS 5332-81-0) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxycarbonyloxybut-2-enyl methyl carbonate
Also Known As: But-2-ene-1,4-diyl dimethyl biscarbonate, 4-methoxycarbonyloxybut-2-enyl methyl carbonate, [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate, Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 5332-81-0 |
|---|---|
| SMILES | COC(=O)OCC=CCOC(=O)OC |
| InChIKey | YNCYZSBUDLGGQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester (CAS 5332-81-0), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: 4-methoxycarbonyloxybut-2-enyl methyl carbonate.
Chemical Property Profile of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester
Property Insights of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester. Following Lipinski's Rule of Five, Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester has 0 hydrogen bond donor(s) and 6 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 Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester?
The CAS number of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester is 5332-81-0.
What is the molecular formula of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester?
The molecular formula of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester is C8H12O6.
What is the molecular weight of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester?
The molecular weight of Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester is 204.06 g/mol.
Where can I buy Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester?
You can request a quote for Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid 4-methoxycarbonyloxy-but-2-enyl ester methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.