3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol
TL;DR: 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol (CAS 55447-58-0) is a chemical compound with molecular formula C20H34O9 and molecular weight 418.22 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;hexanedioic acid;hexane-1,6-diol
Also Known As: (C8-H10-O3.C6-H14-O2.C6-H10-O4)x-, Hexanedioic acid, polymer with hexahydro-1,3-isobenzofurandione and 1,6-hexanediol, 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; hexanedioic acid; hexane-1,6-diol
| Molecular Formula | C20H34O9 |
|---|---|
| Molecular Weight | 418.22 g/mol |
| LogP | 2.1236 |
| Topological Polar Surface Area | 158.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.22028 |
| Heavy Atoms | 29 |
| Complexity | 460.18033 |
Chemical Identifiers
| CAS Number | 55447-58-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
Product Overview
3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol (CAS 55447-58-0), with molecular formula C20H34O9 and molecular weight 418.22 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol.
Chemical Property Profile of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol
Property Insights of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol
The XLogP value of 2.1236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol. The TPSA of 158.43 Ų indicates high polarity, suggesting 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol has 4 hydrogen bond donor(s) and 7 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 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol?
The CAS number of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol is 55447-58-0.
What is the molecular formula of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol?
The molecular formula of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol is C20H34O9.
What is the molecular weight of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol?
The molecular weight of 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol is 418.22 g/mol.
Where can I buy 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol?
You can request a quote for 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-Hexahydro-2-benzofuran-1,3-dione;hexanedioic acid;hexane-1,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.