AB-131/42302802
TL;DR: AB-131/42302802 (CAS 57337-45-8) is a chemical compound with molecular formula C18H17BrO4S and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-(benzenesulfonylmethyl)-1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]
Also Known As: AB-131/42302802, 1'-bromo-4'-((phenylsulfonyl)methyl)spiro[[1,3]dioxolane-2,9'-pentacyclo[4.3.0.0(2,5).0(3,8).0(4,7)]nonane], 1-bromo-4-[(phenylsulfonyl)methyl]spiro(1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane), 1-Bromo-4-((phenylsulfonyl)methyl)spiro[pentacyclo[4.3.0.02,5.03,8.04,7]nonane-9,2'-[1,3]dioxolane], 4'-(benzenesulfonylmethyl)-1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]
| Molecular Formula | C18H17BrO4S |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 2.0887 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.00308 |
| Heavy Atoms | 24 |
| Complexity | 870.85364 |
Chemical Identifiers
| CAS Number | 57337-45-8 |
|---|---|
| SMILES | C1COC2(O1)C3C4C5C2(C6C5C4(C63)CS(=O)(=O)C7=CC=CC=C7)Br |
Product Overview
AB-131/42302802 (CAS 57337-45-8), with molecular formula C18H17BrO4S and molecular weight 408.00 g/mol. IUPAC: 4'-(benzenesulfonylmethyl)-1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane].
Chemical Property Profile of AB-131/42302802
Property Insights of AB-131/42302802
The XLogP value of 2.0887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB-131/42302802. With a topological polar surface area (TPSA) of 52.6 Ų, AB-131/42302802 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB-131/42302802 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 AB-131/42302802?
The CAS number of AB-131/42302802 is 57337-45-8.
What is the molecular formula of AB-131/42302802?
The molecular formula of AB-131/42302802 is C18H17BrO4S.
What is the molecular weight of AB-131/42302802?
The molecular weight of AB-131/42302802 is 408.00 g/mol.
Where can I buy AB-131/42302802?
You can request a quote for AB-131/42302802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB-131/42302802?
Yes, KEHONG BIO provides custom synthesis services for AB-131/42302802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.