BAS 00481830
TL;DR: BAS 00481830 (CAS 333396-05-7) is a chemical compound with molecular formula C21H13ClF3N5OS2 and molecular weight 507.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00481830, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-chloro-5-(2-thienyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2- yl)]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carboxamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H13ClF3N5OS2 |
|---|---|
| Molecular Weight | 507.02 g/mol |
| LogP | 6.19428 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 507.0202 |
| Heavy Atoms | 33 |
| Complexity | 1433.1879 |
Chemical Identifiers
| CAS Number | 333396-05-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CS5)C(F)(F)F)C#N |
Product Overview
BAS 00481830 (CAS 333396-05-7), with molecular formula C21H13ClF3N5OS2 and molecular weight 507.02 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00481830
Property Insights of BAS 00481830
The XLogP value of 6.19428 indicates that BAS 00481830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00481830. Following Lipinski's Rule of Five, BAS 00481830 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00481830?
The CAS number of BAS 00481830 is 333396-05-7.
What is the molecular formula of BAS 00481830?
The molecular formula of BAS 00481830 is C21H13ClF3N5OS2.
What is the molecular weight of BAS 00481830?
The molecular weight of BAS 00481830 is 507.02 g/mol.
Where can I buy BAS 00481830?
You can request a quote for BAS 00481830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00481830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00481830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.