BAS 00924539
TL;DR: BAS 00924539 (CAS 333765-42-7) is a chemical compound with molecular formula C23H16F3N5O7S and molecular weight 563.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00924539, dimethyl 3-methyl-5-({[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate, 2,4-DIMETHYL 3-METHYL-5-[5-(4-NITROPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]THIOPHENE-2,4-DICARBOXYLATE, dimethyl 3-methyl-5-(5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C23H16F3N5O7S |
|---|---|
| Molecular Weight | 563.07 g/mol |
| LogP | 4.51872 |
| Topological Polar Surface Area | 155.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.07227 |
| Heavy Atoms | 39 |
| Complexity | 1644.4932 |
Chemical Identifiers
| CAS Number | 333765-42-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F)C(=O)OC |
Product Overview
BAS 00924539 (CAS 333765-42-7), with molecular formula C23H16F3N5O7S and molecular weight 563.07 g/mol. IUPAC: dimethyl 3-methyl-5-[[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00924539
Property Insights of BAS 00924539
The XLogP value of 4.51872 indicates that BAS 00924539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.03 Ų indicates high polarity, suggesting BAS 00924539 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00924539 has 1 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 BAS 00924539?
The CAS number of BAS 00924539 is 333765-42-7.
What is the molecular formula of BAS 00924539?
The molecular formula of BAS 00924539 is C23H16F3N5O7S.
What is the molecular weight of BAS 00924539?
The molecular weight of BAS 00924539 is 563.07 g/mol.
Where can I buy BAS 00924539?
You can request a quote for BAS 00924539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924539?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.