RCL S96580
TL;DR: RCL S96580 (CAS 25867-86-1) is a chemical compound with molecular formula C12H11BrO4 and molecular weight 297.98 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'-carboxylic acid
Also Known As: RCL S96580, NCI60_015967, J1.121.850D, AE-646/31212053, bromospiro[1,3-dioxolane-2,[?]-[?]]carboxylic acid
| Molecular Formula | C12H11BrO4 |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.98407 |
| Heavy Atoms | 17 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 25867-86-1 |
|---|---|
| SMILES | C1COC2(O1)C3C4C5C2(C6C5C4(C63)C(=O)O)Br |
| InChIKey | ZGOHSJGPNWPPHD-UHFFFAOYSA-N |
Product Overview
RCL S96580 (CAS 25867-86-1), with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol. IUPAC: 1'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxylic acid.
Chemical Property Profile of RCL S96580
Property Insights of RCL S96580
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RCL S96580. With a topological polar surface area (TPSA) of 55.8 Ų, RCL S96580 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RCL S96580 has 1 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 RCL S96580?
The CAS number of RCL S96580 is 25867-86-1.
What is the molecular formula of RCL S96580?
The molecular formula of RCL S96580 is C12H11BrO4.
What is the molecular weight of RCL S96580?
The molecular weight of RCL S96580 is 297.98 g/mol.
Where can I buy RCL S96580?
You can request a quote for RCL S96580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RCL S96580?
Yes, KEHONG BIO provides custom synthesis services for RCL S96580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.