(C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-
TL;DR: (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- (CAS 68411-79-0) is a chemical compound with molecular formula C22H16Cl4O11 and molecular weight 595.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione;4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
Also Known As: (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, polymer with 1,2-ethanediol, 2,5-furandione and 4,5,6,7-tetrachloro-1,3-isobenzofurandione, brominated, 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-, polymer with 1,2-ethanediol, 2,5-furandione and 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione, Ethylene glycol, maleic anhydride, tetrahydrophthalic anhydride, tetrachlorophthalic anhydride resin
| Molecular Formula | C22H16Cl4O11 |
|---|---|
| Molecular Weight | 595.94 g/mol |
| LogP | 2.86 |
| Topological Polar Surface Area | 170.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 595.9447 |
| Heavy Atoms | 37 |
| Complexity | 1118.7427 |
Chemical Identifiers
| CAS Number | 68411-79-0 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O |
Product Overview
(C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- (CAS 68411-79-0), with molecular formula C22H16Cl4O11 and molecular weight 595.94 g/mol. IUPAC: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione;4,5,6,7-tetrachloro-2-benzofuran-1,3-dione.
Chemical Property Profile of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-
Property Insights of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-
The XLogP value of 2.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-. The TPSA of 170.57 Ų indicates high polarity, suggesting (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-?
The CAS number of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- is 68411-79-0.
What is the molecular formula of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-?
The molecular formula of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- is C22H16Cl4O11.
What is the molecular weight of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-?
The molecular weight of (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- is 595.94 g/mol.
Where can I buy (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-?
You can request a quote for (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H8-O3.C8-Cl4-O3.C4-H2-O3.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.