4-甲氧基-4-氧代丁烷-1-氯化铵
TL;DR: 4-甲氧基-4-氧代丁烷-1-氯化铵 (CAS 13031-60-2) is a chemical compound with molecular formula C5H12ClNO2 and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基-4-氧代丁烷-1-氯化铵
(4-methoxy-4-oxobutyl)azanium chloride
Also Known As: 4-methoxy-4-oxobutan-1-aminium chloride, Cid 25623, (4-methoxy-4-oxobutyl)azanium;chloride, Methyl 4-aminobutyrate hydrochloride, Methyl 4-aminobutanoate Hydrochloride
| Molecular Formula | C5H12ClNO2 |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | -3.81 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.05565 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 13031-60-2 |
|---|---|
| SMILES | COC(=O)CCC[NH3+].[Cl-] |
| InChIKey | WPGPRLVPWACBHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基-4-氧代丁烷-1-氯化铵 (CAS 13031-60-2), with molecular formula C5H12ClNO2 and molecular weight 153.06 g/mol. IUPAC: (4-methoxy-4-oxobutyl)azanium chloride.
Chemical Property Profile of 4-甲氧基-4-氧代丁烷-1-氯化铵
Property Insights of 4-甲氧基-4-氧代丁烷-1-氯化铵
The XLogP value of -3.81 indicates that 4-甲氧基-4-氧代丁烷-1-氯化铵 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, 4-甲氧基-4-氧代丁烷-1-氯化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基-4-氧代丁烷-1-氯化铵 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-4-氧代丁烷-1-氯化铵?
The CAS number of 4-甲氧基-4-氧代丁烷-1-氯化铵 is 13031-60-2.
What is the molecular formula of 4-甲氧基-4-氧代丁烷-1-氯化铵?
The molecular formula of 4-甲氧基-4-氧代丁烷-1-氯化铵 is C5H12ClNO2.
What is the molecular weight of 4-甲氧基-4-氧代丁烷-1-氯化铵?
The molecular weight of 4-甲氧基-4-氧代丁烷-1-氯化铵 is 153.06 g/mol.
Where can I buy 4-甲氧基-4-氧代丁烷-1-氯化铵?
You can request a quote for 4-甲氧基-4-氧代丁烷-1-氯化铵 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-4-氧代丁烷-1-氯化铵?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基-4-氧代丁烷-1-氯化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.