BAS 01841086
TL;DR: BAS 01841086 (CAS 332852-72-9) is a chemical compound with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Also Known As: BAS 01841086, BIM-0021345.P001, 3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaz aperhydroine-2-carboxylic acid, 3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
| Molecular Formula | C12H9ClF3N3O2S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 3.9565 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.0056 |
| Heavy Atoms | 22 |
| Complexity | 714.0152 |
Chemical Identifiers
| CAS Number | 332852-72-9 |
|---|---|
| SMILES | C1C(NC2=C(C(=NN2C1C(F)(F)F)C(=O)O)Cl)C3=CC=CS3 |
Product Overview
BAS 01841086 (CAS 332852-72-9), with molecular formula C12H9ClF3N3O2S and molecular weight 351.01 g/mol. IUPAC: 3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
Chemical Property Profile of BAS 01841086
Property Insights of BAS 01841086
The XLogP value of 3.9565 indicates that BAS 01841086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01841086. Following Lipinski's Rule of Five, BAS 01841086 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01841086?
The CAS number of BAS 01841086 is 332852-72-9.
What is the molecular formula of BAS 01841086?
The molecular formula of BAS 01841086 is C12H9ClF3N3O2S.
What is the molecular weight of BAS 01841086?
The molecular weight of BAS 01841086 is 351.01 g/mol.
Where can I buy BAS 01841086?
You can request a quote for BAS 01841086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01841086?
Yes, KEHONG BIO provides custom synthesis services for BAS 01841086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.