![adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene structure](/static/products/3304/33048-42-9.webp)
adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
TL;DR: adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 33048-42-9) is a chemical compound with molecular formula C36H56N2O12 and molecular weight 708.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, Hexanedioic acid, polymer with 1,4-butanediol, 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatobenzene], (C15-H10-N2-O2.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O2)x-, 4,4'-Diphenylmethane diisocyanate, 1,4-butanediol, adipic acid, 1,6-hexanediol, neopentyl glycol polymer, butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
| Molecular Formula | C36H56N2O12 |
|---|---|
| Molecular Weight | 708.38 g/mol |
| LogP | 4.2078 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 708.3833 |
| Heavy Atoms | 50 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 33048-42-9 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | LCIJZEMSTDFBII-UHFFFAOYSA-N |
Product Overview
adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 33048-42-9), with molecular formula C36H56N2O12 and molecular weight 708.38 g/mol. IUPAC: butane-1,4-diol;2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Property Insights of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
The XLogP value of 4.2078 indicates that adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene has 8 hydrogen bond donor(s) and 14 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; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The CAS number of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is 33048-42-9.
What is the molecular formula of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The molecular formula of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is C36H56N2O12.
What is the molecular weight of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
The molecular weight of adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is 708.38 g/mol.
Where can I buy adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
You can request a quote for adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for adipic acid; butane-1,4-diol; 2,2-dimethylpropane-1,3-diol; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.