AO-800/41069731
TL;DR: AO-800/41069731 (CAS 27720-87-2) is a chemical compound with molecular formula C9H7BrO3S and molecular weight 273.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: 3-bromo-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide, 3-bromothiochroman-4-one 1,1-dioxide, 3-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-one, AO-800/41069731, 3-Bromo-2,3-dihydro-1lambda~6~-benzothiopyran-1,1,4-trione
| Molecular Formula | C9H7BrO3S |
|---|---|
| Molecular Weight | 273.93 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.92993 |
| Heavy Atoms | 14 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 27720-87-2 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2S1(=O)=O)Br |
| InChIKey | DEGLAKGDZIPTAY-UHFFFAOYSA-N |
Product Overview
AO-800/41069731 (CAS 27720-87-2), with molecular formula C9H7BrO3S and molecular weight 273.93 g/mol. IUPAC: 3-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of AO-800/41069731
Property Insights of AO-800/41069731
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-800/41069731. With a topological polar surface area (TPSA) of 59.6 Ų, AO-800/41069731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-800/41069731 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 AO-800/41069731?
The CAS number of AO-800/41069731 is 27720-87-2.
What is the molecular formula of AO-800/41069731?
The molecular formula of AO-800/41069731 is C9H7BrO3S.
What is the molecular weight of AO-800/41069731?
The molecular weight of AO-800/41069731 is 273.93 g/mol.
Where can I buy AO-800/41069731?
You can request a quote for AO-800/41069731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-800/41069731?
Yes, KEHONG BIO provides custom synthesis services for AO-800/41069731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.