BAS 01058804
TL;DR: BAS 01058804 (CAS 313396-25-7) is a chemical compound with molecular formula C18H13Cl2F3N4O and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
Also Known As: BAS 01058804, A2176/0091430, [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone, (3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone, [3-CHLORO-5-(4-CHLOROPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-2-YL](1-PYRROLIDINYL)METHANONE
| Molecular Formula | C18H13Cl2F3N4O |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 4.9579 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.04184 |
| Heavy Atoms | 28 |
| Complexity | 1057.3633 |
Chemical Identifiers
| CAS Number | 313396-25-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
BAS 01058804 (CAS 313396-25-7), with molecular formula C18H13Cl2F3N4O and molecular weight 428.04 g/mol. IUPAC: [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of BAS 01058804
Property Insights of BAS 01058804
The XLogP value of 4.9579 indicates that BAS 01058804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 01058804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058804 has 0 hydrogen bond donor(s) and 3 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 01058804?
The CAS number of BAS 01058804 is 313396-25-7.
What is the molecular formula of BAS 01058804?
The molecular formula of BAS 01058804 is C18H13Cl2F3N4O.
What is the molecular weight of BAS 01058804?
The molecular weight of BAS 01058804 is 428.04 g/mol.
Where can I buy BAS 01058804?
You can request a quote for BAS 01058804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058804?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.