(C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-
TL;DR: (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- (CAS 66559-38-4) is a chemical compound with molecular formula C29H42O13 and molecular weight 598.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;2,2-bis(prop-2-enoxymethyl)butan-1-ol;ethane-1,2-diol;furan-2,5-dione;propane-1,2-diol
Also Known As: (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-, 1,3-Isobenzofurandione, polymer with 2,2-bis[(2-propenyloxy)methyl]-1-butanol, 1,2-ethanediol, 2,5-furandione and 1,2-propanediol, 1,3-Isobenzofurandione, polymer with 2,2-bis((2-propen-1-yloxy)methyl)-1-butanol, 1,2-ethanediol, 2,5-furandione and 1,2-propanediol, 1,3-Isobenzofurandione, polymer with 2,2-bis((2-propenyloxy)methyl)-1-butanol, 1,2-ethanediol, 2,5-furandione and 1,2-propanediol, 2,2-bis(prop-2-enoxymethyl)butan-1-ol; ethane-1,2-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol
| Molecular Formula | C29H42O13 |
|---|---|
| Molecular Weight | 598.26 g/mol |
| LogP | 0.734 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 598.2625 |
| Heavy Atoms | 42 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 66559-38-4 |
|---|---|
| SMILES | CCC(CO)(COCC=C)COCC=C.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O |
| InChIKey | ZWCGYCBNBBTQGS-UHFFFAOYSA-N |
Product Overview
(C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- (CAS 66559-38-4), with molecular formula C29H42O13 and molecular weight 598.26 g/mol. IUPAC: 2-benzofuran-1,3-dione;2,2-bis(prop-2-enoxymethyl)butan-1-ol;ethane-1,2-diol;furan-2,5-dione;propane-1,2-diol.
Chemical Property Profile of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-
Property Insights of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-
The XLogP value of 0.734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-. The TPSA of 206.0 Ų indicates high polarity, suggesting (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-?
The CAS number of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- is 66559-38-4.
What is the molecular formula of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-?
The molecular formula of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- is C29H42O13.
What is the molecular weight of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-?
The molecular weight of (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- is 598.26 g/mol.
Where can I buy (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-?
You can request a quote for (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.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 (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H22-O3.C8-H4-O3.C4-H2-O3.C3-H8-O2.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.