(C8-H10-O3.C8-H4-O3.C6-H14-O3)x-
TL;DR: (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- (CAS 61842-72-6) is a chemical compound with molecular formula C22H28O9 and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Also Known As: (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-, Hexahydrophthalic anhydride, phthalic anhydride, trimethylolpropaneresin, 1,3-Isobenzofurandione, hexahydro-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, Hexahydrophthalic anhydride, phthalic anhydride, trimethylolpropane resin, Phthalic anhydride, trimethylolpropane, hexahydrophthalic anhydride polymer
| Molecular Formula | C22H28O9 |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 1.2331 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.17334 |
| Heavy Atoms | 31 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 61842-72-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.C1CCC2C(C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O |
| InChIKey | KDHJICCLIOCXMX-UHFFFAOYSA-N |
Product Overview
(C8-H10-O3.C8-H4-O3.C6-H14-O3)x- (CAS 61842-72-6), with molecular formula C22H28O9 and molecular weight 436.17 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-
Property Insights of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-
The XLogP value of 1.2331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-. The TPSA of 147.0 Ų indicates high polarity, suggesting (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-?
The CAS number of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- is 61842-72-6.
What is the molecular formula of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-?
The molecular formula of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- is C22H28O9.
What is the molecular weight of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-?
The molecular weight of (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- is 436.17 g/mol.
Where can I buy (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-?
You can request a quote for (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H10-O3.C8-H4-O3.C6-H14-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H10-O3.C8-H4-O3.C6-H14-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.