(C23-H44-O6.C9-H6-N2-O2)x-
TL;DR: (C23-H44-O6.C9-H6-N2-O2)x- (CAS 52390-75-7) is a chemical compound with molecular formula C32H50N2O8 and molecular weight 590.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate
Also Known As: (C23-H44-O6.C9-H6-N2-O2)x-, Pentaerythritol monoricinoleate, toluene diisocyanate polymer, 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-, polymer with 1,3-diisocyanatomethylbenzene, 1,3-diisocyanato-2-methylbenzene; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate, 9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, [R-(Z)]-, polymer with 1,3-diisocyanatomethylbenzene
| Molecular Formula | C32H50N2O8 |
|---|---|
| Molecular Weight | 590.36 g/mol |
| LogP | 5.43082 |
| Topological Polar Surface Area | 166.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Exact Mass | 590.3567 |
| Heavy Atoms | 42 |
| Complexity | 936.21313 |
Chemical Identifiers
| CAS Number | 52390-75-7 |
|---|---|
| SMILES | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O |
Product Overview
(C23-H44-O6.C9-H6-N2-O2)x- (CAS 52390-75-7), with molecular formula C32H50N2O8 and molecular weight 590.36 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate.
Chemical Property Profile of (C23-H44-O6.C9-H6-N2-O2)x-
Property Insights of (C23-H44-O6.C9-H6-N2-O2)x-
The XLogP value of 5.43082 indicates that (C23-H44-O6.C9-H6-N2-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.08 Ų indicates high polarity, suggesting (C23-H44-O6.C9-H6-N2-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C23-H44-O6.C9-H6-N2-O2)x- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C23-H44-O6.C9-H6-N2-O2)x-?
The CAS number of (C23-H44-O6.C9-H6-N2-O2)x- is 52390-75-7.
What is the molecular formula of (C23-H44-O6.C9-H6-N2-O2)x-?
The molecular formula of (C23-H44-O6.C9-H6-N2-O2)x- is C32H50N2O8.
What is the molecular weight of (C23-H44-O6.C9-H6-N2-O2)x-?
The molecular weight of (C23-H44-O6.C9-H6-N2-O2)x- is 590.36 g/mol.
Where can I buy (C23-H44-O6.C9-H6-N2-O2)x-?
You can request a quote for (C23-H44-O6.C9-H6-N2-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C23-H44-O6.C9-H6-N2-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C23-H44-O6.C9-H6-N2-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.