Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer
TL;DR: Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer (CAS 54682-75-6) is a chemical compound with molecular formula C40H64N2O15 and molecular weight 812.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
Also Known As: Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane, (C15-H22-N2-O2.C8-H6-O4.C6-H14-O3.C6-H10-O4.C5-H12-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,1'-methylenebis(4-isocyanatocyclohexane), 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,1'-methylenebis[4-isocyanatocyclohexane]
| Molecular Formula | C40H64N2O15 |
|---|---|
| Molecular Weight | 812.43 g/mol |
| LogP | 4.3216 |
| Topological Polar Surface Area | 309.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Exact Mass | 812.43066 |
| Heavy Atoms | 57 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 54682-75-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | CQMWDTNRCGHCBY-UHFFFAOYSA-N |
Product Overview
Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer (CAS 54682-75-6), with molecular formula C40H64N2O15 and molecular weight 812.43 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane.
Chemical Property Profile of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer
Property Insights of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer
The XLogP value of 4.3216 indicates that Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 309.0 Ų indicates high polarity, suggesting Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer?
The CAS number of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer is 54682-75-6.
What is the molecular formula of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer?
The molecular formula of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer is C40H64N2O15.
What is the molecular weight of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer?
The molecular weight of Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer is 812.43 g/mol.
Where can I buy Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer?
You can request a quote for Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer?
Yes, KEHONG BIO provides custom synthesis services for Hydrogenated MDI, adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.