Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
TL;DR: Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide (CAS 97314-03-9) is a chemical compound with molecular formula C8H17BrN2O2S and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylsulfanylethyl(4-aminobutanoyl)azanium bromide
Also Known As: Thioacetic acid S-2-(4-aminobutyramido)ethyl ester hydrobromide, ACETIC ACID, THIO-, S-2-(4-AMINOBUTYRAMIDO)ETHYL ESTER, HYDROBROMIDE, 2-acetylsulfanylethyl(4-aminobutanoyl)azanium bromide, RefChem:316702
| Molecular Formula | C8H17BrN2O2S |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 284.0194 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 97314-03-9 |
|---|---|
| SMILES | CC(=O)SCC[NH2+]C(=O)CCCN.[Br-] |
| InChIKey | OFRWVIABTFBZJS-UHFFFAOYSA-N |
Product Overview
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide (CAS 97314-03-9), with molecular formula C8H17BrN2O2S and molecular weight 284.02 g/mol. IUPAC: 2-acetylsulfanylethyl(4-aminobutanoyl)azanium bromide.
Chemical Property Profile of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
Property Insights of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
The XLogP value of -3.9 indicates that Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide. Following Lipinski's Rule of Five, Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide 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 Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide?
The CAS number of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide is 97314-03-9.
What is the molecular formula of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide?
The molecular formula of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide is C8H17BrN2O2S.
What is the molecular weight of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide?
The molecular weight of Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide is 284.02 g/mol.
Where can I buy Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide?
You can request a quote for Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.