Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-
TL;DR: Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- (CAS 59547-52-3) is a chemical compound with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid
Also Known As: LABA, 4-(DL-alpha-Lipamido)butyric acid, 4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid, 4-[[5- -1-oxopentyl]amino]butanoicacid, 4-((5-(1,2-Dithiolan-3-yl)-1-oxopentyl)amino)butanoic acid
| Molecular Formula | C12H21NO3S2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.09628 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 59547-52-3 |
|---|---|
| SMILES | C1CSSC1CCCCC(=O)NCCCC(=O)O |
| InChIKey | PZSMUPGANZGPBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- (CAS 59547-52-3), with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol. IUPAC: 4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid.
Chemical Property Profile of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-
Property Insights of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-. Following Lipinski's Rule of Five, Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- has 2 hydrogen bond donor(s) and 5 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 Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-?
The CAS number of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- is 59547-52-3.
What is the molecular formula of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-?
The molecular formula of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- is C12H21NO3S2.
What is the molecular weight of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-?
The molecular weight of Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- is 291.10 g/mol.
Where can I buy Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-?
You can request a quote for Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.