Gemini
TL;DR: Gemini (CAS 120812-76-2) is a chemical compound with molecular formula C24H25Cl3N6O8S and molecular weight 662.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Gemini
3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: Gemini, Lorox plus, Benzoic acid, 2-(((((4-chloro-6-methoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, ethyl ester, mixt. with N'-(3,4-dichlorophenyl)-N-methoxy-N-methylurea, 1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3, 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
| Molecular Formula | C24H25Cl3N6O8S |
|---|---|
| Molecular Weight | 662.05 g/mol |
| LogP | 4.8442 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 662.052 |
| Heavy Atoms | 42 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 120812-76-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC.CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC |
| InChIKey | FUHCASFXVMBXMX-UHFFFAOYSA-N |
Product Overview
Gemini (CAS 120812-76-2), with molecular formula C24H25Cl3N6O8S and molecular weight 662.05 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea;ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Gemini
Property Insights of Gemini
The XLogP value of 4.8442 indicates that Gemini is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting Gemini may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemini has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gemini?
The CAS number of Gemini is 120812-76-2.
What is the molecular formula of Gemini?
The molecular formula of Gemini is C24H25Cl3N6O8S.
What is the molecular weight of Gemini?
The molecular weight of Gemini is 662.05 g/mol.
Where can I buy Gemini?
You can request a quote for Gemini directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemini?
Yes, KEHONG BIO provides custom synthesis services for Gemini and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.