3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)
TL;DR: 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) (CAS 126740-37-2) is a chemical compound with molecular formula C10H23NO2S and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3-hexylsulfanyl-2-methylpropanoate
Also Known As: 3-(Hexylthio)-2-methylpropanoic acid ammonium salt, azanium 3-hexylsulfanyl-2-methylpropanoate, Propanoic acid, 3-(hexylthio)-2-methyl-, ammonium salt, 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1), RefChem:1067164
| Molecular Formula | C10H23NO2S |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.0621 |
| Topological Polar Surface Area | 76.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 221.14494 |
| Heavy Atoms | 14 |
| Complexity | 142.0837 |
Chemical Identifiers
| CAS Number | 126740-37-2 |
|---|---|
| SMILES | CCCCCCSCC(C)C(=O)[O-].[NH4+] |
Product Overview
3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) (CAS 126740-37-2), with molecular formula C10H23NO2S and molecular weight 221.14 g/mol. IUPAC: azanium 3-hexylsulfanyl-2-methylpropanoate.
Chemical Property Profile of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)
Property Insights of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)
The XLogP value of 2.0621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1). The TPSA of 76.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1). Following Lipinski's Rule of Five, 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) 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 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)?
The CAS number of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) is 126740-37-2.
What is the molecular formula of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)?
The molecular formula of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) is C10H23NO2S.
What is the molecular weight of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)?
The molecular weight of 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) is 221.14 g/mol.
Where can I buy 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)?
You can request a quote for 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexylsulfanyl)-2-methylpropanoic acid--ammonia (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.