(C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
TL;DR: (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- (CAS 59326-15-7) is a chemical compound with molecular formula C21H24Cl6O10 and molecular weight 645.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-diol;furan-2,5-dione;1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;propane-1,2-diol
Also Known As: (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-, 4,7-Methanoisobenzofuran-1,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-, polymer with 2,2-dimethyl-1,3-propanediol, 2,5-furandione and 1,2-propanediol, 4,7-Methanoisobenzofuran-1,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-, polymer with 2,2-dimethyl-1,3-propanediol,2,5-furandione and 1,2-propanediol
| Molecular Formula | C21H24Cl6O10 |
|---|---|
| Molecular Weight | 645.95 g/mol |
| LogP | 2.1304 |
| Topological Polar Surface Area | 167.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 645.9501 |
| Heavy Atoms | 37 |
| Complexity | 928.3048 |
Chemical Identifiers
| CAS Number | 59326-15-7 |
|---|---|
| SMILES | CC(CO)O.CC(C)(CO)CO.C1=CC(=O)OC1=O.C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
(C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- (CAS 59326-15-7), with molecular formula C21H24Cl6O10 and molecular weight 645.95 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;furan-2,5-dione;1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;propane-1,2-diol.
Chemical Property Profile of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
Property Insights of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-
The XLogP value of 2.1304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-. The TPSA of 167.66 Ų indicates high polarity, suggesting (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The CAS number of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is 59326-15-7.
What is the molecular formula of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The molecular formula of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is C21H24Cl6O10.
What is the molecular weight of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
The molecular weight of (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- is 645.95 g/mol.
Where can I buy (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
You can request a quote for (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H2-Cl6-O3.C5-H12-O2.C4-H2-O3.C3-H8-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.