N-acetyl-5-bromoindolyl acetate
TL;DR: N-acetyl-5-bromoindolyl acetate (CAS 33588-54-4) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-5-bromoindol-3-yl) acetate
Also Known As: 5-Bromoindoxyl diacetate, 1-Acetyl-5-bromo-1H-indol-3-yl acetate, yl ester, 5-BROMOINDOXYLDIACETATE, N-Acetyl-5-bromoindolyl acetate
| Molecular Formula | C12H10BrNO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.9844 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 33588-54-4 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=C1C=CC(=C2)Br)OC(=O)C |
| InChIKey | XJRIDJAGAYGJCK-UHFFFAOYSA-N |
Product Overview
N-acetyl-5-bromoindolyl acetate (CAS 33588-54-4), with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol. IUPAC: (1-acetyl-5-bromoindol-3-yl) acetate.
Chemical Property Profile of N-acetyl-5-bromoindolyl acetate
Property Insights of N-acetyl-5-bromoindolyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-5-bromoindolyl acetate. With a topological polar surface area (TPSA) of 48.3 Ų, N-acetyl-5-bromoindolyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-acetyl-5-bromoindolyl acetate has 0 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 N-acetyl-5-bromoindolyl acetate?
The CAS number of N-acetyl-5-bromoindolyl acetate is 33588-54-4.
What is the molecular formula of N-acetyl-5-bromoindolyl acetate?
The molecular formula of N-acetyl-5-bromoindolyl acetate is C12H10BrNO3.
What is the molecular weight of N-acetyl-5-bromoindolyl acetate?
The molecular weight of N-acetyl-5-bromoindolyl acetate is 294.98 g/mol.
Where can I buy N-acetyl-5-bromoindolyl acetate?
You can request a quote for N-acetyl-5-bromoindolyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-5-bromoindolyl acetate?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-5-bromoindolyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.