adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol
TL;DR: adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol (CAS 38952-84-0) is a chemical compound with molecular formula C30H38N4O12 and molecular weight 646.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid
Also Known As: adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol, Hexanedioic acid, polymer with 1,4-butanediol, 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene and 1,2-ethanediol, (C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2.C2-H6-O2)x-, butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethane-1,2-diol; hexanedioic acid, butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diol; hexanedioic acid
| Molecular Formula | C30H38N4O12 |
|---|---|
| Molecular Weight | 646.25 g/mol |
| LogP | 3.29744 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 646.2486 |
| Heavy Atoms | 46 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 38952-84-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O |
| InChIKey | ZUNVAGBWHQQSRI-UHFFFAOYSA-N |
Product Overview
adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol (CAS 38952-84-0), with molecular formula C30H38N4O12 and molecular weight 646.25 g/mol. IUPAC: butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid.
Chemical Property Profile of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol
Property Insights of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol
The XLogP value of 3.29744 indicates that adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol has 6 hydrogen bond donor(s) and 16 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; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol?
The CAS number of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol is 38952-84-0.
What is the molecular formula of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol?
The molecular formula of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol is C30H38N4O12.
What is the molecular weight of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol?
The molecular weight of adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol is 646.25 g/mol.
Where can I buy adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol?
You can request a quote for adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol 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; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol?
Yes, KEHONG BIO provides custom synthesis services for adipic acid; butane-1,4-diol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.