UPHIT
TL;DR: UPHIT (CAS 122407-13-0) is a chemical compound with molecular formula C20H25Cl2N3OS and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Also Known As: UPHIT, 2-Isothiocyanato-4,5-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide, 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide, 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide, 2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]acetamide
| Molecular Formula | C20H25Cl2N3OS |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.10953 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 122407-13-0 |
|---|---|
| SMILES | CN(C1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl |
| InChIKey | SPEPFQRDPVNKTR-GGYWPGCISA-N |
Product Overview
UPHIT (CAS 122407-13-0), with molecular formula C20H25Cl2N3OS and molecular weight 425.11 g/mol. IUPAC: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
Chemical Property Profile of UPHIT
Property Insights of UPHIT
The XLogP value of 5.8 indicates that UPHIT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPHIT. Following Lipinski's Rule of Five, UPHIT 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 UPHIT?
The CAS number of UPHIT is 122407-13-0.
What is the molecular formula of UPHIT?
The molecular formula of UPHIT is C20H25Cl2N3OS.
What is the molecular weight of UPHIT?
The molecular weight of UPHIT is 425.11 g/mol.
Where can I buy UPHIT?
You can request a quote for UPHIT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPHIT?
Yes, KEHONG BIO provides custom synthesis services for UPHIT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.