5-Chloromethyleosin
TL;DR: 5-Chloromethyleosin (CAS 136832-64-9) is a chemical compound with molecular formula C25H13Br4ClO7 and molecular weight 775.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6'-acetyloxy-2',4',5',7'-tetrabromo-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Also Known As: 5-Chloromethyleosin, CMEDA, 5-Chloromethyleosin diacetate, 5-Bromo-2-nitrotoluene, 5-CHLOROMETHYLEOSINDIACETATE
| Molecular Formula | C25H13Br4ClO7 |
|---|---|
| Molecular Weight | 775.71 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 775.7083 |
| Heavy Atoms | 37 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 136832-64-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(=C1Br)OC3=C(C(=C(C=C3C24C5=C(C=C(C=C5)CCl)C(=O)O4)Br)OC(=O)C)Br)Br |
| InChIKey | JWUXYHGBXYHBPQ-UHFFFAOYSA-N |
Product Overview
5-Chloromethyleosin (CAS 136832-64-9), with molecular formula C25H13Br4ClO7 and molecular weight 775.71 g/mol. IUPAC: [6'-acetyloxy-2',4',5',7'-tetrabromo-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate.
Chemical Property Profile of 5-Chloromethyleosin
Property Insights of 5-Chloromethyleosin
The XLogP value of 6.8 indicates that 5-Chloromethyleosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloromethyleosin. Following Lipinski's Rule of Five, 5-Chloromethyleosin has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloromethyleosin?
The CAS number of 5-Chloromethyleosin is 136832-64-9.
What is the molecular formula of 5-Chloromethyleosin?
The molecular formula of 5-Chloromethyleosin is C25H13Br4ClO7.
What is the molecular weight of 5-Chloromethyleosin?
The molecular weight of 5-Chloromethyleosin is 775.71 g/mol.
Where can I buy 5-Chloromethyleosin?
You can request a quote for 5-Chloromethyleosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloromethyleosin?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloromethyleosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.