(C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-
TL;DR: (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- (CAS 66167-20-2) is a chemical compound with molecular formula C35H54N2O12 and molecular weight 694.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;hexanedioic acid;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
Also Known As: (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-, Hydrogenated bisphenol A, adipic acid, dimethylolpropionic acid, toluene diisocyanate resin, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid and 4,4'-(1-methylethylidene)bis[cyclohexanol], 1,3-diisocyanato-2-methylbenzene; hexanedioic acid; 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid and 4,4'-(1-methylethylidene)bis(cyclohexanol)
| Molecular Formula | C35H54N2O12 |
|---|---|
| Molecular Weight | 694.37 g/mol |
| LogP | 4.82232 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 694.3677 |
| Heavy Atoms | 49 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 66167-20-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1CCC(CC1)O)C2CCC(CC2)O.CC(CO)(CO)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | JREDTHKXMUKVNW-UHFFFAOYSA-N |
Product Overview
(C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- (CAS 66167-20-2), with molecular formula C35H54N2O12 and molecular weight 694.37 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;hexanedioic acid;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid.
Chemical Property Profile of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-
Property Insights of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-
The XLogP value of 4.82232 indicates that (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- has 7 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 (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-?
The CAS number of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- is 66167-20-2.
What is the molecular formula of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-?
The molecular formula of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- is C35H54N2O12.
What is the molecular weight of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-?
The molecular weight of (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- is 694.37 g/mol.
Where can I buy (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-?
You can request a quote for (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H28-O2.C9-H6-N2-O2.C6-H10-O4.C5-H10-O4)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.