Clonidine 4-isothiocyanate
TL;DR: Clonidine 4-isothiocyanate (CAS 81913-29-3) is a chemical compound with molecular formula C10H8Cl2N4S and molecular weight 285.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dichloro-4-isothiocyanatophenyl)-4,5-dihydro-1H-imidazol-2-amine
Also Known As: Clonidine 4-isothiocyanate, 4-Isothiocyanato clonidine, Clonidine para-isothiocyanate, N-(2,6-dichloro-4-isothiocyanatophenyl)-4,5-dihydro-1H-imidazol-2-amine, 1H-Imidazol-2-amine, N-(2,6-dichloro-4-isothiocyanatophenyl)-4,5-dihydro-
| Molecular Formula | C10H8Cl2N4S |
|---|---|
| Molecular Weight | 285.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.98468 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 81913-29-3 |
|---|---|
| SMILES | C1CN=C(N1)NC2=C(C=C(C=C2Cl)N=C=S)Cl |
| InChIKey | KLZSOMBZDISYIO-UHFFFAOYSA-N |
Product Overview
Clonidine 4-isothiocyanate (CAS 81913-29-3), with molecular formula C10H8Cl2N4S and molecular weight 285.98 g/mol. IUPAC: N-(2,6-dichloro-4-isothiocyanatophenyl)-4,5-dihydro-1H-imidazol-2-amine.
Chemical Property Profile of Clonidine 4-isothiocyanate
Property Insights of Clonidine 4-isothiocyanate
The XLogP value of 3.4 indicates that Clonidine 4-isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Clonidine 4-isothiocyanate. Following Lipinski's Rule of Five, Clonidine 4-isothiocyanate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clonidine 4-isothiocyanate?
The CAS number of Clonidine 4-isothiocyanate is 81913-29-3.
What is the molecular formula of Clonidine 4-isothiocyanate?
The molecular formula of Clonidine 4-isothiocyanate is C10H8Cl2N4S.
What is the molecular weight of Clonidine 4-isothiocyanate?
The molecular weight of Clonidine 4-isothiocyanate is 285.98 g/mol.
Where can I buy Clonidine 4-isothiocyanate?
You can request a quote for Clonidine 4-isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clonidine 4-isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Clonidine 4-isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.