trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane
TL;DR: trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane (CAS 25029-11-2) is a chemical compound with molecular formula C12H18N2S2 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-isothiocyanatoethyl)cyclohexane
Also Known As: BOC-GLN-GLN-OH, 1,4-bis(2-isothiocyanatoethyl)cyclohexane, trans-1,4-bis cyclohexane, trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane, 1alpha,4beta-Bis(2-isothiocyanatoethyl)cyclohexane
| Molecular Formula | C12H18N2S2 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.09114 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 25029-11-2 |
|---|---|
| SMILES | C1CC(CCC1CCN=C=S)CCN=C=S |
| InChIKey | GQSJCHSMDBWAQK-UHFFFAOYSA-N |
Product Overview
trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane (CAS 25029-11-2), with molecular formula C12H18N2S2 and molecular weight 254.09 g/mol. IUPAC: 1,4-bis(2-isothiocyanatoethyl)cyclohexane.
Chemical Property Profile of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane
Property Insights of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane
The XLogP value of 6.1 indicates that trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane. Following Lipinski's Rule of Five, trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane?
The CAS number of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane is 25029-11-2.
What is the molecular formula of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane?
The molecular formula of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane is C12H18N2S2.
What is the molecular weight of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane?
The molecular weight of trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane is 254.09 g/mol.
Where can I buy trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane?
You can request a quote for trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane?
Yes, KEHONG BIO provides custom synthesis services for trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.