2X-0830
TL;DR: 2X-0830 (CAS 956743-17-2) is a chemical compound with molecular formula C18H21F3N6OS2 and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]thiourea
Also Known As: 2X-0830, N-[2-(1-cyclohexenyl)ethyl]-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide, 1-[2-(cyclohexen-1-yl)ethyl]-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]thiourea, N-({[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}amino)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
| Molecular Formula | C18H21F3N6OS2 |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 3.65542 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.11703 |
| Heavy Atoms | 30 |
| Complexity | 950.1138 |
Chemical Identifiers
| CAS Number | 956743-17-2 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNC(=S)NCCC3=CCCCC3 |
Product Overview
2X-0830 (CAS 956743-17-2), with molecular formula C18H21F3N6OS2 and molecular weight 458.12 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]thiourea.
Chemical Property Profile of 2X-0830
Property Insights of 2X-0830
The XLogP value of 3.65542 indicates that 2X-0830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2X-0830. Following Lipinski's Rule of Five, 2X-0830 has 3 hydrogen bond donor(s) and 5 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 2X-0830?
The CAS number of 2X-0830 is 956743-17-2.
What is the molecular formula of 2X-0830?
The molecular formula of 2X-0830 is C18H21F3N6OS2.
What is the molecular weight of 2X-0830?
The molecular weight of 2X-0830 is 458.12 g/mol.
Where can I buy 2X-0830?
You can request a quote for 2X-0830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2X-0830?
Yes, KEHONG BIO provides custom synthesis services for 2X-0830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.