propanoic acid, 3-(butylthio)-, ammonium salt
TL;DR: propanoic acid, 3-(butylthio)-, ammonium salt (CAS 126740-29-2) is a chemical compound with molecular formula C7H17NO2S and molecular weight 179.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3-butylsulfanylpropanoate
Also Known As: 3-(Butylthio)propanoic acid ammonium salt, Propanoic acid, 3-(butylthio)-, ammonium salt, azanium 3-butylsulfanylpropanoate, AMMONIUM 3-(BUTYLSULFANYL)PROPANOATE, RefChem:374819
| Molecular Formula | C7H17NO2S |
|---|---|
| Molecular Weight | 179.10 g/mol |
| LogP | 1.0359 |
| Topological Polar Surface Area | 76.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 179.098 |
| Heavy Atoms | 11 |
| Complexity | 98.44136 |
Chemical Identifiers
| CAS Number | 126740-29-2 |
|---|---|
| SMILES | CCCCSCCC(=O)[O-].[NH4+] |
Product Overview
propanoic acid, 3-(butylthio)-, ammonium salt (CAS 126740-29-2), with molecular formula C7H17NO2S and molecular weight 179.10 g/mol. IUPAC: azanium 3-butylsulfanylpropanoate.
Chemical Property Profile of propanoic acid, 3-(butylthio)-, ammonium salt
Property Insights of propanoic acid, 3-(butylthio)-, ammonium salt
The XLogP value of 1.0359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propanoic acid, 3-(butylthio)-, ammonium salt. The TPSA of 76.63 Ų falls within the moderate polarity range, balancing permeability and solubility for propanoic acid, 3-(butylthio)-, ammonium salt. Following Lipinski's Rule of Five, propanoic acid, 3-(butylthio)-, ammonium salt 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 propanoic acid, 3-(butylthio)-, ammonium salt?
The CAS number of propanoic acid, 3-(butylthio)-, ammonium salt is 126740-29-2.
What is the molecular formula of propanoic acid, 3-(butylthio)-, ammonium salt?
The molecular formula of propanoic acid, 3-(butylthio)-, ammonium salt is C7H17NO2S.
What is the molecular weight of propanoic acid, 3-(butylthio)-, ammonium salt?
The molecular weight of propanoic acid, 3-(butylthio)-, ammonium salt is 179.10 g/mol.
Where can I buy propanoic acid, 3-(butylthio)-, ammonium salt?
You can request a quote for propanoic acid, 3-(butylthio)-, ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propanoic acid, 3-(butylthio)-, ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for propanoic acid, 3-(butylthio)-, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.