(C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-
TL;DR: (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- (CAS 67815-86-5) is a chemical compound with molecular formula C21H34N2O7 and molecular weight 426.24 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;hexane-1,6-diol
Also Known As: (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-, Toluene diisocyanate, trimethylolpropane, 1,6-hexanediol polymer, 1,6-Hexanediol, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol, 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol
| Molecular Formula | C21H34N2O7 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 1.82072 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 426.2366 |
| Heavy Atoms | 30 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 67815-86-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCO)CCO |
| InChIKey | JYESXRGJXQRMDV-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- (CAS 67815-86-5), with molecular formula C21H34N2O7 and molecular weight 426.24 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol.
Chemical Property Profile of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-
Property Insights of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-
The XLogP value of 1.82072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-. The TPSA of 160.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- has 5 hydrogen bond donor(s) and 9 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.C6-H14-O2)x-?
The CAS number of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- is 67815-86-5.
What is the molecular formula of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-?
The molecular formula of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- is C21H34N2O7.
What is the molecular weight of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-?
The molecular weight of (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- is 426.24 g/mol.
Where can I buy (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x-?
You can request a quote for (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)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.C6-H14-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C6-H14-O3.C6-H14-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.