AB-131/42302788
TL;DR: AB-131/42302788 (CAS 119045-19-1) is a chemical compound with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-amine
Also Known As: AB-131/42302788, 1'-bromospiro[[1,3]dioxolane-2,9'-pentacyclo[4.3.0.0(2,5).0(3,8).0(4,7)]nonan]-4'-amine, 1'-Bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-amine, 1-Bromospiro[pentacyclo[4.3.0.02,5.03,8.04,7]nonane-9,2'-[1,3]dioxolan]-4-amine, 1'-bromospiro(1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane)-4'-ylamine
| Molecular Formula | C11H12BrNO2 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 0.3259 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.00513 |
| Heavy Atoms | 15 |
| Complexity | 412.30386 |
Chemical Identifiers
| CAS Number | 119045-19-1 |
|---|---|
| SMILES | C1COC2(O1)C3C4C5C2(C6C5C4(C63)N)Br |
Product Overview
AB-131/42302788 (CAS 119045-19-1), with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol. IUPAC: 1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-amine.
Chemical Property Profile of AB-131/42302788
Property Insights of AB-131/42302788
The XLogP value of 0.3259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB-131/42302788. With a topological polar surface area (TPSA) of 44.48 Ų, AB-131/42302788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB-131/42302788 has 1 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 AB-131/42302788?
The CAS number of AB-131/42302788 is 119045-19-1.
What is the molecular formula of AB-131/42302788?
The molecular formula of AB-131/42302788 is C11H12BrNO2.
What is the molecular weight of AB-131/42302788?
The molecular weight of AB-131/42302788 is 269.01 g/mol.
Where can I buy AB-131/42302788?
You can request a quote for AB-131/42302788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB-131/42302788?
Yes, KEHONG BIO provides custom synthesis services for AB-131/42302788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.