4-甲氧基丁酸
TL;DR: 4-甲氧基丁酸 (CAS 29006-02-8) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基丁酸
4-methoxybutanoic acid
Also Known As: 4-Methoxybutanoic acid, 4-Methoxybutyric acid, Butanoic acid, 4-methoxy-, 4-methoxybutyricacid, 4-Methoxybutanoicacid
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 29006-02-8 |
|---|---|
| SMILES | COCCCC(=O)O |
| InChIKey | VRRCYIFZBSJBAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基丁酸 (CAS 29006-02-8), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: 4-methoxybutanoic acid.
Chemical Property Profile of 4-甲氧基丁酸
Property Insights of 4-甲氧基丁酸
The XLogP value of -0.1 indicates that 4-甲氧基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 4-甲氧基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基丁酸 has 1 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 4-甲氧基丁酸?
The CAS number of 4-甲氧基丁酸 is 29006-02-8.
What is the molecular formula of 4-甲氧基丁酸?
The molecular formula of 4-甲氧基丁酸 is C5H10O3.
What is the molecular weight of 4-甲氧基丁酸?
The molecular weight of 4-甲氧基丁酸 is 118.06 g/mol.
Where can I buy 4-甲氧基丁酸?
You can request a quote for 4-甲氧基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.