alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium
TL;DR: alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium (CAS 41287-29-0) is a chemical compound with molecular formula C36H54Cl2N2O4S2 and molecular weight 712.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[carboxy-(3-chloro-4-cyclohexylphenyl)methyl]disulfanyl]-2-(3-chloro-4-cyclohexylphenyl)acetic acid;bis(N-ethylethanamine)
Also Known As: alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium, Benzeneacetic acid, alpha,alpha'-dithiobis(3-chloro-4-cyclohexyl-, compd. with N-ethylethanamine (1:2), 2,2'-disulfanediylbis[(3-chloro-4-cyclohexylphenyl)acetic acid]- n-ethylethanamine(1:2), 2,2'-Disulfanediylbis[(3-chloro-4-cyclohexylphenyl)acetic acid]--N-ethylethanamine (1/2), 2-(3-chloro-4-cyclohexylphenyl)-2-[[1-(3-chloro-4-cyclohexylphenyl)-2-hydroxy-2-oxoethyl]disulfanyl]acetic acid; N-ethylethanamine
| Molecular Formula | C36H54Cl2N2O4S2 |
|---|---|
| Molecular Weight | 712.29 g/mol |
| LogP | 10.6534 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 712.2902 |
| Heavy Atoms | 46 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 41287-29-0 |
|---|---|
| SMILES | CCNCC.CCNCC.C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)SSC(C3=CC(=C(C=C3)C4CCCCC4)Cl)C(=O)O)Cl |
| InChIKey | KCDZGPBNSVLSDN-UHFFFAOYSA-N |
Product Overview
alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium (CAS 41287-29-0), with molecular formula C36H54Cl2N2O4S2 and molecular weight 712.29 g/mol. IUPAC: 2-[[carboxy-(3-chloro-4-cyclohexylphenyl)methyl]disulfanyl]-2-(3-chloro-4-cyclohexylphenyl)acetic acid;bis(N-ethylethanamine).
Chemical Property Profile of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium
Property Insights of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium
The XLogP value of 10.6534 indicates that alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium has 4 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 alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium?
The CAS number of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium is 41287-29-0.
What is the molecular formula of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium?
The molecular formula of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium is C36H54Cl2N2O4S2.
What is the molecular weight of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium?
The molecular weight of alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium is 712.29 g/mol.
Where can I buy alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium?
You can request a quote for alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.