3-Pentenoic acid, 5-methoxy-, methyl ester
TL;DR: 3-Pentenoic acid, 5-methoxy-, methyl ester (CAS 58185-66-3) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methoxypent-3-enoate
Also Known As: METHYL 5-METHOXYPENT-3-ENOATE, 3-Pentenoic acid, 5-methoxy-, methyl ester, 3-Pentenoic acid,5-methoxy-,methyl ester, RefChem:281598
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 58185-66-3 |
|---|---|
| SMILES | COCC=CCC(=O)OC |
| InChIKey | FDSQFSDKVOLLOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentenoic acid, 5-methoxy-, methyl ester (CAS 58185-66-3), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl 5-methoxypent-3-enoate.
Chemical Property Profile of 3-Pentenoic acid, 5-methoxy-, methyl ester
Property Insights of 3-Pentenoic acid, 5-methoxy-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentenoic acid, 5-methoxy-, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Pentenoic acid, 5-methoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentenoic acid, 5-methoxy-, 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 3-Pentenoic acid, 5-methoxy-, methyl ester?
The CAS number of 3-Pentenoic acid, 5-methoxy-, methyl ester is 58185-66-3.
What is the molecular formula of 3-Pentenoic acid, 5-methoxy-, methyl ester?
The molecular formula of 3-Pentenoic acid, 5-methoxy-, methyl ester is C7H12O3.
What is the molecular weight of 3-Pentenoic acid, 5-methoxy-, methyl ester?
The molecular weight of 3-Pentenoic acid, 5-methoxy-, methyl ester is 144.08 g/mol.
Where can I buy 3-Pentenoic acid, 5-methoxy-, methyl ester?
You can request a quote for 3-Pentenoic acid, 5-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentenoic acid, 5-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenoic acid, 5-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.