AE-646/11813021
TL;DR: AE-646/11813021 (CAS 25867-84-9) is a chemical compound with molecular formula C12H10Br2O3 and molecular weight 359.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5',9'-dibromospiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-one
Also Known As: RCL T298565, AE-646/11813021, 5',9'-Dibromospiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-one, 5',9'-dibromo-10'H-spiro[1,3-dioxolane-2,6'-pentacyclo[5.3.0.0~2,5~.0~3,9~.0~4,8~]decan]-10'-one (non-preferred name), 5',9'-Dibromospiro[[1,3]dioxolane-2,6'-pentacyclo[5.3.0.0~2,5~.0~3,9~.0~4,8~]decan]-10'-one
| Molecular Formula | C12H10Br2O3 |
|---|---|
| Molecular Weight | 359.90 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 359.89966 |
| Heavy Atoms | 17 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 25867-84-9 |
|---|---|
| SMILES | C1COC2(O1)C3C4C5C2(C6C5C(C36)(C4=O)Br)Br |
| InChIKey | GABJUTVSUROVBC-UHFFFAOYSA-N |
Product Overview
AE-646/11813021 (CAS 25867-84-9), with molecular formula C12H10Br2O3 and molecular weight 359.90 g/mol. IUPAC: 5',9'-dibromospiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-one.
Chemical Property Profile of AE-646/11813021
Property Insights of AE-646/11813021
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-646/11813021. With a topological polar surface area (TPSA) of 35.5 Ų, AE-646/11813021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-646/11813021 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 AE-646/11813021?
The CAS number of AE-646/11813021 is 25867-84-9.
What is the molecular formula of AE-646/11813021?
The molecular formula of AE-646/11813021 is C12H10Br2O3.
What is the molecular weight of AE-646/11813021?
The molecular weight of AE-646/11813021 is 359.90 g/mol.
Where can I buy AE-646/11813021?
You can request a quote for AE-646/11813021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-646/11813021?
Yes, KEHONG BIO provides custom synthesis services for AE-646/11813021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.