BAS 00481846
TL;DR: BAS 00481846 (CAS 333396-11-5) is a chemical compound with molecular formula C28H22ClF3N6O4S and molecular weight 630.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00481846, 3-chloro-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-(3-(3-(diethylamino)phenoxy)-5-nitrophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-{3-[3-(diethylamino)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-{5-[3-(diethylamino)phenoxy]-3-nitrophenyl}[3-chloro-5-(2-thienyl)-7-(triflu oromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]carboxamide
| Molecular Formula | C28H22ClF3N6O4S |
|---|---|
| Molecular Weight | 630.11 g/mol |
| LogP | 7.929 |
| Topological Polar Surface Area | 114.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.1064 |
| Heavy Atoms | 43 |
| Complexity | 1823.5906 |
Chemical Identifiers
| CAS Number | 333396-11-5 |
|---|---|
| SMILES | CCN(CC)C1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00481846 (CAS 333396-11-5), with molecular formula C28H22ClF3N6O4S and molecular weight 630.11 g/mol. IUPAC: 3-chloro-N-[3-[3-(diethylamino)phenoxy]-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00481846
Property Insights of BAS 00481846
The XLogP value of 7.929 indicates that BAS 00481846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00481846. Following Lipinski's Rule of Five, BAS 00481846 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00481846?
The CAS number of BAS 00481846 is 333396-11-5.
What is the molecular formula of BAS 00481846?
The molecular formula of BAS 00481846 is C28H22ClF3N6O4S.
What is the molecular weight of BAS 00481846?
The molecular weight of BAS 00481846 is 630.11 g/mol.
Where can I buy BAS 00481846?
You can request a quote for BAS 00481846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00481846?
Yes, KEHONG BIO provides custom synthesis services for BAS 00481846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.