RHI001
TL;DR: RHI001 (CAS 312509-47-0) is a chemical compound with molecular formula C23H18BrF3N4O4S and molecular weight 582.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: RHI001, A1935/0081421, 2-[[[3-Bromo-5-(2-furanyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylicacidethylester, ethyl 2-({[3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H18BrF3N4O4S |
|---|---|
| Molecular Weight | 582.02 g/mol |
| LogP | 6.1399 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 582.01843 |
| Heavy Atoms | 36 |
| Complexity | 1477.0656 |
Chemical Identifiers
| CAS Number | 312509-47-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CO5)C(F)(F)F |
Product Overview
RHI001 (CAS 312509-47-0), with molecular formula C23H18BrF3N4O4S and molecular weight 582.02 g/mol. IUPAC: ethyl 2-[[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RHI001
Property Insights of RHI001
The XLogP value of 6.1399 indicates that RHI001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RHI001. Following Lipinski's Rule of Five, RHI001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RHI001?
The CAS number of RHI001 is 312509-47-0.
What is the molecular formula of RHI001?
The molecular formula of RHI001 is C23H18BrF3N4O4S.
What is the molecular weight of RHI001?
The molecular weight of RHI001 is 582.02 g/mol.
Where can I buy RHI001?
You can request a quote for RHI001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RHI001?
Yes, KEHONG BIO provides custom synthesis services for RHI001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.