AI 3-22376
TL;DR: AI 3-22376 (CAS 5836-04-4) is a chemical compound with molecular formula C11H6Cl6O and molecular weight 363.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6,12,12-hexachloro-11-oxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Also Known As: Shell 52RL45, 52RL45, AI3-22376, AI 3-22376, 4-17-00-00520 (Beilstein Handbook Reference)
| Molecular Formula | C11H6Cl6O |
|---|---|
| Molecular Weight | 363.85 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.85498 |
| Heavy Atoms | 18 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 5836-04-4 |
|---|---|
| SMILES | C1=CC2C3C(C1O2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | RLRTXCXGNIUXCU-UHFFFAOYSA-N |
Product Overview
AI 3-22376 (CAS 5836-04-4), with molecular formula C11H6Cl6O and molecular weight 363.85 g/mol. IUPAC: 3,4,5,6,12,12-hexachloro-11-oxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
Chemical Property Profile of AI 3-22376
Property Insights of AI 3-22376
The XLogP value of 3.4 indicates that AI 3-22376 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, AI 3-22376 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI 3-22376 has 0 hydrogen bond donor(s) and 1 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 AI 3-22376?
The CAS number of AI 3-22376 is 5836-04-4.
What is the molecular formula of AI 3-22376?
The molecular formula of AI 3-22376 is C11H6Cl6O.
What is the molecular weight of AI 3-22376?
The molecular weight of AI 3-22376 is 363.85 g/mol.
Where can I buy AI 3-22376?
You can request a quote for AI 3-22376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-22376?
Yes, KEHONG BIO provides custom synthesis services for AI 3-22376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.