(C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-
TL;DR: (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- (CAS 57979-03-0) is a chemical compound with molecular formula C21H30N2O7 and molecular weight 422.21 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;oxepan-2-one
Also Known As: (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-, 1,3-Diisocyanatomethylbenzene, trimethylolpropane, epsilon-caprolactone polymer, 2-Oxepanone, polymer with 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; oxepan-2-one
| Molecular Formula | C21H30N2O7 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 2.39292 |
| Topological Polar Surface Area | 145.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.2053 |
| Heavy Atoms | 30 |
| Complexity | 671.1107 |
Chemical Identifiers
| CAS Number | 57979-03-0 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)OCC1 |
Product Overview
(C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- (CAS 57979-03-0), with molecular formula C21H30N2O7 and molecular weight 422.21 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;oxepan-2-one.
Chemical Property Profile of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-
Property Insights of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-
The XLogP value of 2.39292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-. The TPSA of 145.85 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C6-H14-O3.C6-H10-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-H10-O2)x- has 3 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-H10-O2)x-?
The CAS number of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- is 57979-03-0.
What is the molecular formula of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-?
The molecular formula of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- is C21H30N2O7.
What is the molecular weight of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-?
The molecular weight of (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- is 422.21 g/mol.
Where can I buy (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x-?
You can request a quote for (C9-H6-N2-O2.C6-H14-O3.C6-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-H14-O3.C6-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C6-H14-O3.C6-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.