(C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-
TL;DR: (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- (CAS 56791-69-6) is a chemical compound with molecular formula C31H44N2O11 and molecular weight 620.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene
Also Known As: (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-, Hexanedioic acid, polymer with 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,1'-methylenebis[4-isocyanato-3-methylbenzene], ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanato-3-methyl-phenyl)methyl]-2-methyl-benzene, ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene, Hexanedioic acid, polymer with 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,1'-methylenebis(4-isocyanato-3-methylbenzene)
| Molecular Formula | C31H44N2O11 |
|---|---|
| Molecular Weight | 620.29 g/mol |
| LogP | 2.87554 |
| Topological Polar Surface Area | 234.61 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 620.2945 |
| Heavy Atoms | 44 |
| Complexity | 1116.0856 |
Chemical Identifiers
| CAS Number | 56791-69-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N=C=O)C)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O |
Product Overview
(C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- (CAS 56791-69-6), with molecular formula C31H44N2O11 and molecular weight 620.29 g/mol. IUPAC: ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene.
Chemical Property Profile of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-
Property Insights of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-
The XLogP value of 2.87554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-. The TPSA of 234.61 Ų indicates high polarity, suggesting (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-?
The CAS number of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- is 56791-69-6.
What is the molecular formula of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-?
The molecular formula of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- is C31H44N2O11.
What is the molecular weight of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-?
The molecular weight of (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- is 620.29 g/mol.
Where can I buy (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-?
You can request a quote for (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C17-H14-N2-O2.C6-H14-O3.C6-H10-O4.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.