Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester
TL;DR: Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester (CAS 136801-92-8) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-methyloxolan-2-ylidene)acetate
Also Known As: methyl 2-(5-methyloxolan-2-ylidene)acetate, Methyl (5-methyloxolan-2-ylidene)acetate, NCI60_006054, Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester, Acetic acid,(dihydro-5-methyl-2(3H)-furanylidene)-,methyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 136801-92-8 |
|---|---|
| SMILES | CC1CCC(=CC(=O)OC)O1 |
| InChIKey | OSKPHNFOIQIJSF-UHFFFAOYSA-N |
Product Overview
Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester (CAS 136801-92-8), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: methyl 2-(5-methyloxolan-2-ylidene)acetate.
Chemical Property Profile of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester
Property Insights of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester?
The CAS number of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester is 136801-92-8.
What is the molecular formula of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester?
The molecular formula of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester is C8H12O3.
What is the molecular weight of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester?
The molecular weight of Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester is 156.08 g/mol.
Where can I buy Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester?
You can request a quote for Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (dihydro-5-methyl-2(3H)-furanylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.