(C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-
TL;DR: (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- (CAS 52642-68-9) is a chemical compound with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-hydroxyethyl prop-2-enoate
Also Known As: (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-, 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl prop-2-enoate, 2-Propenoic acid, 2-hydroxyethyl ester, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, Benzene, 1,3-diisocyantomethyl-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2-propenoic acid, 2-hydroxyethyl ester
| Molecular Formula | C20H28N2O8 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 0.99722 |
| Topological Polar Surface Area | 166.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.18457 |
| Heavy Atoms | 30 |
| Complexity | 680.56226 |
Chemical Identifiers
| CAS Number | 52642-68-9 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C=CC(=O)OCCO |
Product Overview
(C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- (CAS 52642-68-9), with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-hydroxyethyl prop-2-enoate.
Chemical Property Profile of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-
Property Insights of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-
The XLogP value of 0.99722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-. The TPSA of 166.08 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-?
The CAS number of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- is 52642-68-9.
What is the molecular formula of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-?
The molecular formula of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- is C20H28N2O8.
What is the molecular weight of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-?
The molecular weight of (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- is 424.18 g/mol.
Where can I buy (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-?
You can request a quote for (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C6-H14-O3.C5-H8-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.