(C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-
TL;DR: (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- (CAS 68456-04-2) is a chemical compound with molecular formula C23H36N2O9 and molecular weight 484.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one
Also Known As: (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-, 2-Oxepanone, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 2,2'-oxybis(ethanol), 2-Oxepanone, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene and 2,2'-oxybis[ethanol], butane-1,4-diol; 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; oxepan-2-one
| Molecular Formula | C23H36N2O9 |
|---|---|
| Molecular Weight | 484.24 g/mol |
| LogP | 1.77202 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.2421 |
| Heavy Atoms | 34 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 68456-04-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1.C(CCO)CO.C(COCCO)O |
| InChIKey | CQMCSEINKMMGFK-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- (CAS 68456-04-2), with molecular formula C23H36N2O9 and molecular weight 484.24 g/mol. IUPAC: butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;oxepan-2-one.
Chemical Property Profile of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-
Property Insights of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-
The XLogP value of 1.77202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-. The TPSA of 175.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- has 4 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 (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-?
The CAS number of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- is 68456-04-2.
What is the molecular formula of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-?
The molecular formula of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- is C23H36N2O9.
What is the molecular weight of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-?
The molecular weight of (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- is 484.24 g/mol.
Where can I buy (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-?
You can request a quote for (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-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-H10-O2.C4-H10-O3.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C6-H10-O2.C4-H10-O3.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.