1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate
TL;DR: 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate (CAS 693799-53-0) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-5-bromoindol-3-yl) acetate
Also Known As: 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate, 5-bromo-1H-indole-1,3-diyl diacetate, (1-acetyloxy-5-bromoindol-3-yl) acetate, 3-(ACETYLOXY)-5-BROMOINDOL-1-YL ACETATE
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 2.3042 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 632.2843 |
Chemical Identifiers
| CAS Number | 693799-53-0 |
|---|---|
| SMILES | CC(=O)OC1=CN(C2=C1C=C(C=C2)Br)OC(=O)C |
Product Overview
1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate (CAS 693799-53-0), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: (1-acetyloxy-5-bromoindol-3-yl) acetate.
Chemical Property Profile of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate
Property Insights of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate
The XLogP value of 2.3042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate. With a topological polar surface area (TPSA) of 57.53 Ų, 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate has 0 hydrogen bond donor(s) and 4 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 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate?
The CAS number of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate is 693799-53-0.
What is the molecular formula of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate?
The molecular formula of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate is C12H10BrNO4.
What is the molecular weight of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate?
The molecular weight of 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate is 310.98 g/mol.
Where can I buy 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate?
You can request a quote for 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(acetyloxy)-5-bromo-1H-indol-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.