(C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-
TL;DR: (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- (CAS 999-22-4) is a chemical compound with molecular formula C31H63N5O5 and molecular weight 585.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
Also Known As: (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-, adipic acid; 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine, Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-methylenebis(cyclohexanamine), Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-methylenebis[cyclohexanamine], 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
| Molecular Formula | C31H63N5O5 |
|---|---|
| Molecular Weight | 585.48 g/mol |
| LogP | 4.2683 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.4829 |
| Heavy Atoms | 41 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 999-22-4 |
|---|---|
| SMILES | C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O |
| InChIKey | LYRSKWHPYTWGPJ-UHFFFAOYSA-N |
Product Overview
(C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- (CAS 999-22-4), with molecular formula C31H63N5O5 and molecular weight 585.48 g/mol. IUPAC: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid.
Chemical Property Profile of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-
Property Insights of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-
The XLogP value of 4.2683 indicates that (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-?
The CAS number of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- is 999-22-4.
What is the molecular formula of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-?
The molecular formula of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- is C31H63N5O5.
What is the molecular weight of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-?
The molecular weight of (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- is 585.48 g/mol.
Where can I buy (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-?
You can request a quote for (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-?
Yes, KEHONG BIO provides custom synthesis services for (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.