Pentanoic acid, 4,4-dimethoxy-, ethyl ester
TL;DR: Pentanoic acid, 4,4-dimethoxy-, ethyl ester (CAS 652146-14-0) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-dimethoxypentanoate
Also Known As: Ethyl 4,4-dimethoxypentanoate, Pentanoic acid, 4,4-dimethoxy-, ethyl ester, Ethyl 4,4-dimethoxypentanoate #, 4,4-Dimethoxypentanoic acid ethyl ester, 4,4-dimethoxy-pentanoic acid ethyl ester
| Molecular Formula | C9H18O4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.12051 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 652146-14-0 |
|---|---|
| SMILES | CCOC(=O)CCC(C)(OC)OC |
| InChIKey | ZCZPJGYGVFVPLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4,4-dimethoxy-, ethyl ester (CAS 652146-14-0), with molecular formula C9H18O4 and molecular weight 190.12 g/mol. IUPAC: ethyl 4,4-dimethoxypentanoate.
Chemical Property Profile of Pentanoic acid, 4,4-dimethoxy-, ethyl ester
Property Insights of Pentanoic acid, 4,4-dimethoxy-, ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4,4-dimethoxy-, ethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Pentanoic acid, 4,4-dimethoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4,4-dimethoxy-, ethyl ester 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 Pentanoic acid, 4,4-dimethoxy-, ethyl ester?
The CAS number of Pentanoic acid, 4,4-dimethoxy-, ethyl ester is 652146-14-0.
What is the molecular formula of Pentanoic acid, 4,4-dimethoxy-, ethyl ester?
The molecular formula of Pentanoic acid, 4,4-dimethoxy-, ethyl ester is C9H18O4.
What is the molecular weight of Pentanoic acid, 4,4-dimethoxy-, ethyl ester?
The molecular weight of Pentanoic acid, 4,4-dimethoxy-, ethyl ester is 190.12 g/mol.
Where can I buy Pentanoic acid, 4,4-dimethoxy-, ethyl ester?
You can request a quote for Pentanoic acid, 4,4-dimethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4,4-dimethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4,4-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.