1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
TL;DR: 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate (CAS 4981-10-6) is a chemical compound with molecular formula C26H36Cl2N2O4 and molecular weight 510.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;1-N,4-N-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
Also Known As: N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate, N,N'-(1,4-Cyclohexylene)bis(2-chlorophenethylamine) diacetate, 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate, Phenethylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetate, acetic acid; 1-N,4-N-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
| Molecular Formula | C26H36Cl2N2O4 |
|---|---|
| Molecular Weight | 510.21 g/mol |
| LogP | 5.45 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.2052 |
| Heavy Atoms | 34 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 4981-10-6 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.C1CC(CCC1NCCC2=CC=CC=C2Cl)NCCC3=CC=CC=C3Cl |
| InChIKey | KJTKQMGARPGBEV-UHFFFAOYSA-N |
Product Overview
1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate (CAS 4981-10-6), with molecular formula C26H36Cl2N2O4 and molecular weight 510.21 g/mol. IUPAC: acetic acid;1-N,4-N-bis[2-(2-chlorophenyl)ethyl]cyclohexane-1,4-diamine.
Chemical Property Profile of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
Property Insights of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
The XLogP value of 5.45 indicates that 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate. Following Lipinski's Rule of Five, 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate?
The CAS number of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate is 4981-10-6.
What is the molecular formula of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate?
The molecular formula of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate is C26H36Cl2N2O4.
What is the molecular weight of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate?
The molecular weight of 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate is 510.21 g/mol.
Where can I buy 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate?
You can request a quote for 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.