母菊酯
TL;DR: 母菊酯 (CAS 505-02-2) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
母菊酯
methyl (2Z,8Z)-10-[(E)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
Also Known As: Matricaria ester, Matricariasaeure-methylester, J1.007.222K, methyl (2Z,8Z)-10-[(E)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate, methyl (2Z,8Z)-10-[(2-methylbut-2-enoyl)oxy]deca-2,8-dien-4,6-diynoate
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 1.788 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 542.49664 |
Chemical Identifiers
| CAS Number | 505-02-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC/C=C\C#CC#C/C=C\C(=O)OC |
Product Overview
母菊酯 (CAS 505-02-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: methyl (2Z,8Z)-10-[(E)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate.
Chemical Property Profile of 母菊酯
Property Insights of 母菊酯
The XLogP value of 1.788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 母菊酯. With a topological polar surface area (TPSA) of 52.6 Ų, 母菊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 母菊酯 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 母菊酯?
The CAS number of 母菊酯 is 505-02-2.
What is the molecular formula of 母菊酯?
The molecular formula of 母菊酯 is C16H16O4.
What is the molecular weight of 母菊酯?
The molecular weight of 母菊酯 is 272.10 g/mol.
Where can I buy 母菊酯?
You can request a quote for 母菊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 母菊酯?
Yes, KEHONG BIO provides custom synthesis services for 母菊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.