Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer
TL;DR: Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer (CAS 67905-71-9) is a chemical compound with molecular formula C30H52N2O13 and molecular weight 648.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol
Also Known As: Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer, (C9-H6-N2-O2.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O3)x-, 1,3-diisocyanato-2-methylbenzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol and 2,2'-oxybis(ethanol), Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol and 2,2'-oxybis[ethanol]
| Molecular Formula | C30H52N2O13 |
|---|---|
| Molecular Weight | 648.35 g/mol |
| LogP | 2.16182 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 648.3469 |
| Heavy Atoms | 45 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 67905-71-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | BENDAXJBRHDZJD-UHFFFAOYSA-N |
Product Overview
Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer (CAS 67905-71-9), with molecular formula C30H52N2O13 and molecular weight 648.35 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer
Property Insights of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer
The XLogP value of 2.16182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer. The TPSA of 264.0 Ų indicates high polarity, suggesting Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer?
The CAS number of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer is 67905-71-9.
What is the molecular formula of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer?
The molecular formula of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer is C30H52N2O13.
What is the molecular weight of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer?
The molecular weight of Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer is 648.35 g/mol.
Where can I buy Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer?
You can request a quote for Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.