![Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol structure](/static/products/9556/95566-39-5.webp)
Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol
TL;DR: Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol (CAS 95566-39-5) is a chemical compound with molecular formula C45H58N4O19 and molecular weight 958.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol
Also Known As: Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol, (C9-H6-N2-O2.C9-H6-N2-O2.C8-H4-O3.C6-H14-O3.C6-H10-O4.C4-H10-O3.C3-H8-O2)x-, 2-benzofuran-1,3-dione; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; propane-1,2-diol, 2-benzofuran-1,3-dione;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis(ethanol) and 1,2-propanediol
| Molecular Formula | C45H58N4O19 |
|---|---|
| Molecular Weight | 958.37 g/mol |
| LogP | 3.27924 |
| Topological Polar Surface Area | 387.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 18 |
| Exact Mass | 958.3695 |
| Heavy Atoms | 68 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 95566-39-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | IYMJQHNDDBZKSD-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol (CAS 95566-39-5), with molecular formula C45H58N4O19 and molecular weight 958.37 g/mol. IUPAC: 2-benzofuran-1,3-dione;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol.
Chemical Property Profile of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol
Property Insights of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol
The XLogP value of 3.27924 indicates that Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 387.0 Ų indicates high polarity, suggesting Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol?
The CAS number of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol is 95566-39-5.
What is the molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol?
The molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol is C45H58N4O19.
What is the molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol?
The molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol is 958.37 g/mol.
Where can I buy Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol?
You can request a quote for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione, 2,2'-oxybis[ethanol] and 1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.