A1935/0081427
TL;DR: A1935/0081427 (CAS 312509-53-8) is a chemical compound with molecular formula C24H20BrF3N4O4S and molecular weight 596.03 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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A1935/0081427, ethyl 2-({[3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-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-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H20BrF3N4O4S |
|---|---|
| Molecular Weight | 596.03 g/mol |
| LogP | 6.3859 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 596.03406 |
| Heavy Atoms | 37 |
| Complexity | 1510.7139 |
Chemical Identifiers
| CAS Number | 312509-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CO5)C(F)(F)F |
Product Overview
A1935/0081427 (CAS 312509-53-8), with molecular formula C24H20BrF3N4O4S and molecular weight 596.03 g/mol. IUPAC: ethyl 2-[[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A1935/0081427
Property Insights of A1935/0081427
The XLogP value of 6.3859 indicates that A1935/0081427 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 A1935/0081427. Following Lipinski's Rule of Five, A1935/0081427 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 A1935/0081427?
The CAS number of A1935/0081427 is 312509-53-8.
What is the molecular formula of A1935/0081427?
The molecular formula of A1935/0081427 is C24H20BrF3N4O4S.
What is the molecular weight of A1935/0081427?
The molecular weight of A1935/0081427 is 596.03 g/mol.
Where can I buy A1935/0081427?
You can request a quote for A1935/0081427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1935/0081427?
Yes, KEHONG BIO provides custom synthesis services for A1935/0081427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.