(C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-
TL;DR: (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- (CAS 52182-13-5) is a chemical compound with molecular formula C16H16Cl6O10 and molecular weight 577.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;propane-1,2-diol
Also Known As: (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-, (E)-but-2-enedioic acid; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, polymer with (2E)-2-butenedioic acid and 1,2-propanediol, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, polymer with (2E)-2-butenedioic acid and 1,2-propanediol, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, polymer with (E)-2-butenedioic acid and 1,2-propanediol
| Molecular Formula | C16H16Cl6O10 |
|---|---|
| Molecular Weight | 577.89 g/mol |
| LogP | 2.3048 |
| Topological Polar Surface Area | 189.66 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.88745 |
| Heavy Atoms | 32 |
| Complexity | 781.1659 |
Chemical Identifiers
| CAS Number | 52182-13-5 |
|---|---|
| SMILES | CC(CO)O.C(=C/C(=O)O)\C(=O)O.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
Product Overview
(C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- (CAS 52182-13-5), with molecular formula C16H16Cl6O10 and molecular weight 577.89 g/mol. IUPAC: (E)-but-2-enedioic acid;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;propane-1,2-diol.
Chemical Property Profile of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-
Property Insights of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-
The XLogP value of 2.3048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-. The TPSA of 189.66 Ų indicates high polarity, suggesting (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-?
The CAS number of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- is 52182-13-5.
What is the molecular formula of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-?
The molecular formula of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- is C16H16Cl6O10.
What is the molecular weight of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-?
The molecular weight of (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- is 577.89 g/mol.
Where can I buy (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-?
You can request a quote for (C9-H4-Cl6-O4.C4-H4-O4.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-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H4-Cl6-O4.C4-H4-O4.C3-H8-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.