2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol
TL;DR: 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol (CAS 38655-27-5) is a chemical compound with molecular formula C17H22O9 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol
Also Known As: adipic acid; isobenzofuran-1,3-dione; propane-1,2-diol, Phthalic anhydride, adipic acid, propylene glycol polymer, (C8-H4-O3.C6-H10-O4.C3-H8-O2)x-, Adipic acid, propylene glycol, phthalic anhydride polymer, 2-benzofuran-1,3-dione; hexanedioic acid; propane-1,2-diol
| Molecular Formula | C17H22O9 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 1.0727 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.12637 |
| Heavy Atoms | 26 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 38655-27-5 |
|---|---|
| SMILES | CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O |
| InChIKey | IELXHHOYGCDCSB-UHFFFAOYSA-N |
Product Overview
2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol (CAS 38655-27-5), with molecular formula C17H22O9 and molecular weight 370.13 g/mol. IUPAC: 2-benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol.
Chemical Property Profile of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol
Property Insights of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol
The XLogP value of 1.0727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol has 4 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 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol?
The CAS number of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol is 38655-27-5.
What is the molecular formula of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol?
The molecular formula of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol is C17H22O9.
What is the molecular weight of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol?
The molecular weight of 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol is 370.13 g/mol.
Where can I buy 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol?
You can request a quote for 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofuran-1,3-dione;hexanedioic acid;propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.