(C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-
TL;DR: (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- (CAS 65895-85-4) is a chemical compound with molecular formula C20H35N3O5 and molecular weight 397.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-2-one;ethane-1,2-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-, 2-Oxohexamethyleneimine, isophorone diisocyanate, ethylene glycol polymer, 2H-Azepin-2-one, hexahydro-, polymer with 1,2-ethanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, 2H-AZEPIN-2-ONE, HEXAHYDRO-, POLYMER WITH 1,2-ETHANEDIOL AND 5-ISOCYANATO-1-(ISOCYANATOMETHYL) -1,3,3-TRIMETHYLCYCLOHEXANE, azepan-2-one; ethane-1,2-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
| Molecular Formula | C20H35N3O5 |
|---|---|
| Molecular Weight | 397.26 g/mol |
| LogP | 1.8906 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.25766 |
| Heavy Atoms | 28 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 65895-85-4 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)NCC1.C(CO)O |
| InChIKey | MOJFYQYKLBVTCZ-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- (CAS 65895-85-4), with molecular formula C20H35N3O5 and molecular weight 397.26 g/mol. IUPAC: azepan-2-one;ethane-1,2-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-
Property Insights of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-
The XLogP value of 1.8906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- has 3 hydrogen bond donor(s) and 7 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 (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-?
The CAS number of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- is 65895-85-4.
What is the molecular formula of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-?
The molecular formula of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- is C20H35N3O5.
What is the molecular weight of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-?
The molecular weight of (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- is 397.26 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-?
You can request a quote for (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H11-N-O.C2-H6-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.