BAS 00481845
TL;DR: BAS 00481845 (CAS 313247-55-1) is a chemical compound with molecular formula C27H17ClF3N5O4S and molecular weight 599.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00481845, 3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-{3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl}-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C27H17ClF3N5O4S |
|---|---|
| Molecular Weight | 599.06 g/mol |
| LogP | 7.5715 |
| Topological Polar Surface Area | 111.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 599.0642 |
| Heavy Atoms | 41 |
| Complexity | 1839.2887 |
Chemical Identifiers
| CAS Number | 313247-55-1 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)OC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=NN5C(=CC(=NC5=C4Cl)C6=CC=CS6)C(F)(F)F |
Product Overview
BAS 00481845 (CAS 313247-55-1), with molecular formula C27H17ClF3N5O4S and molecular weight 599.06 g/mol. IUPAC: 3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00481845
Property Insights of BAS 00481845
The XLogP value of 7.5715 indicates that BAS 00481845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00481845. Following Lipinski's Rule of Five, BAS 00481845 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 BAS 00481845?
The CAS number of BAS 00481845 is 313247-55-1.
What is the molecular formula of BAS 00481845?
The molecular formula of BAS 00481845 is C27H17ClF3N5O4S.
What is the molecular weight of BAS 00481845?
The molecular weight of BAS 00481845 is 599.06 g/mol.
Where can I buy BAS 00481845?
You can request a quote for BAS 00481845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00481845?
Yes, KEHONG BIO provides custom synthesis services for BAS 00481845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.