5-bromo-4-chloro-1H-indole-1,3-diyl diacetate
TL;DR: 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate (CAS 887353-72-2) is a chemical compound with molecular formula C12H9BrClNO4 and molecular weight 344.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-5-bromo-4-chloroindol-3-yl) acetate
Also Known As: 5-Bromo-4-chloro-3-indolyl-1,3-diacetate, 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate, (1-acetyloxy-5-bromo-4-chloro-indol-3-yl) Acetate, (1-acetyloxy-5-bromo-4-chloroindol-3-yl) acetate, 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate
| Molecular Formula | C12H9BrClNO4 |
|---|---|
| Molecular Weight | 344.94 g/mol |
| LogP | 2.9576 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.94034 |
| Heavy Atoms | 19 |
| Complexity | 679.9095 |
Chemical Identifiers
| CAS Number | 887353-72-2 |
|---|---|
| SMILES | CC(=O)OC1=CN(C2=C1C(=C(C=C2)Br)Cl)OC(=O)C |
Product Overview
5-bromo-4-chloro-1H-indole-1,3-diyl diacetate (CAS 887353-72-2), with molecular formula C12H9BrClNO4 and molecular weight 344.94 g/mol. IUPAC: (1-acetyloxy-5-bromo-4-chloroindol-3-yl) acetate.
Chemical Property Profile of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate
Property Insights of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate
The XLogP value of 2.9576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate. With a topological polar surface area (TPSA) of 57.53 Ų, 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate 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 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate?
The CAS number of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate is 887353-72-2.
What is the molecular formula of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate?
The molecular formula of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate is C12H9BrClNO4.
What is the molecular weight of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate?
The molecular weight of 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate is 344.94 g/mol.
Where can I buy 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate?
You can request a quote for 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-4-chloro-1H-indole-1,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.