甲氧基丁香油酚
TL;DR: 甲氧基丁香油酚 (CAS 6627-88-9) is a chemical compound with molecular formula C4H10ClNO2 and molecular weight 139.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氧基丁香油酚
4-aminobutanoic acid;hydrochloride
Also Known As: GABA hydrochloride, 4-aminobutanoic acid hydrochloride, 4-Aminobutyric acid hydrochloride, gamma-Aminobutyric acid hydrochloride, 4-Aminobutyric acid HCl
| Molecular Formula | C4H10ClNO2 |
|---|---|
| Molecular Weight | 139.04 g/mol |
| LogP | 0.2317 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.04001 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 6627-88-9 |
|---|---|
| SMILES | C(CC(=O)O)CN.Cl |
| InChIKey | QPGLUEKHBNOAHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氧基丁香油酚 (CAS 6627-88-9), with molecular formula C4H10ClNO2 and molecular weight 139.04 g/mol. IUPAC: 4-aminobutanoic acid;hydrochloride.
Chemical Property Profile of 甲氧基丁香油酚
Property Insights of 甲氧基丁香油酚
The XLogP value of 0.2317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧基丁香油酚. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氧基丁香油酚. Following Lipinski's Rule of Five, 甲氧基丁香油酚 has 3 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 甲氧基丁香油酚?
The CAS number of 甲氧基丁香油酚 is 6627-88-9.
What is the molecular formula of 甲氧基丁香油酚?
The molecular formula of 甲氧基丁香油酚 is C4H10ClNO2.
What is the molecular weight of 甲氧基丁香油酚?
The molecular weight of 甲氧基丁香油酚 is 139.04 g/mol.
Where can I buy 甲氧基丁香油酚?
You can request a quote for 甲氧基丁香油酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧基丁香油酚?
Yes, KEHONG BIO provides custom synthesis services for 甲氧基丁香油酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.