(C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-
TL;DR: (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- (CAS 67599-31-9) is a chemical compound with molecular formula C31H54N4O4 and molecular weight 546.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
Also Known As: (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-, 2-Oxepanone, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine and 1,1'-methylenebis[4-isocyanatocyclohexane], 2-Oxepanone, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine and 1,1'-methylenebis(4-isocyanatocyclohexane), 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; oxepan-2-one, Methylenedi-4,1-cyclohexyleneisocyanate, 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2-oxepanone polymer
| Molecular Formula | C31H54N4O4 |
|---|---|
| Molecular Weight | 546.41 g/mol |
| LogP | 5.7581 |
| Topological Polar Surface Area | 137.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.4145 |
| Heavy Atoms | 39 |
| Complexity | 774.44556 |
Chemical Identifiers
| CAS Number | 67599-31-9 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C.C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O |
Product Overview
(C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- (CAS 67599-31-9), with molecular formula C31H54N4O4 and molecular weight 546.41 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one.
Chemical Property Profile of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-
Property Insights of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-
The XLogP value of 5.7581 indicates that (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-. Following Lipinski's Rule of Five, (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-?
The CAS number of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- is 67599-31-9.
What is the molecular formula of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-?
The molecular formula of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- is C31H54N4O4.
What is the molecular weight of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-?
The molecular weight of (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- is 546.41 g/mol.
Where can I buy (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-?
You can request a quote for (C15-H22-N2-O2.C10-H22-N2.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 (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H22-N2-O2.C10-H22-N2.C6-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.