(3S)-3-acetyloxy-4-bromobutanoic acid
TL;DR: (3S)-3-acetyloxy-4-bromobutanoic acid (CAS 949899-86-9) is a chemical compound with molecular formula C6H9BrO4 and molecular weight 223.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-acetyloxy-4-bromobutanoic acid
Also Known As: (3S)-3-acetyloxy-4-bromobutanoic acid, (R)-3-Acetoxy-4-bromobutanoic acid, (S)-3-ACETOXY-4-BROMOBUTYRIC ACID, (S)-3-ACETOXY-4-BROMOBUTANOIC ACID, (3S)-3-acetyloxy-4-bromo-butanoic Acid
| Molecular Formula | C6H9BrO4 |
|---|---|
| Molecular Weight | 223.97 g/mol |
| LogP | 0.7877 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.96841 |
| Heavy Atoms | 11 |
| Complexity | 140.66127 |
Chemical Identifiers
| CAS Number | 949899-86-9 |
|---|---|
| SMILES | CC(=O)O[C@@H](CC(=O)O)CBr |
Product Overview
(3S)-3-acetyloxy-4-bromobutanoic acid (CAS 949899-86-9), with molecular formula C6H9BrO4 and molecular weight 223.97 g/mol. IUPAC: (3S)-3-acetyloxy-4-bromobutanoic acid.
Chemical Property Profile of (3S)-3-acetyloxy-4-bromobutanoic acid
Property Insights of (3S)-3-acetyloxy-4-bromobutanoic acid
The XLogP value of 0.7877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-acetyloxy-4-bromobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-acetyloxy-4-bromobutanoic acid. Following Lipinski's Rule of Five, (3S)-3-acetyloxy-4-bromobutanoic acid 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 (3S)-3-acetyloxy-4-bromobutanoic acid?
The CAS number of (3S)-3-acetyloxy-4-bromobutanoic acid is 949899-86-9.
What is the molecular formula of (3S)-3-acetyloxy-4-bromobutanoic acid?
The molecular formula of (3S)-3-acetyloxy-4-bromobutanoic acid is C6H9BrO4.
What is the molecular weight of (3S)-3-acetyloxy-4-bromobutanoic acid?
The molecular weight of (3S)-3-acetyloxy-4-bromobutanoic acid is 223.97 g/mol.
Where can I buy (3S)-3-acetyloxy-4-bromobutanoic acid?
You can request a quote for (3S)-3-acetyloxy-4-bromobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-acetyloxy-4-bromobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-acetyloxy-4-bromobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.