BAS 01058409
TL;DR: BAS 01058409 (CAS 420825-85-0) is a chemical compound with molecular formula C12H15ClF3N3O2 and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: BAS 01058409, AB00098283-01, AE-848/13197009, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(tetrahydro-2-furanylmethyl)acetamide
| Molecular Formula | C12H15ClF3N3O2 |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 2.15892 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.08047 |
| Heavy Atoms | 21 |
| Complexity | 524.55273 |
Chemical Identifiers
| CAS Number | 420825-85-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2CCCO2)C(F)(F)F)Cl |
Product Overview
BAS 01058409 (CAS 420825-85-0), with molecular formula C12H15ClF3N3O2 and molecular weight 325.08 g/mol. IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of BAS 01058409
Property Insights of BAS 01058409
The XLogP value of 2.15892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01058409. With a topological polar surface area (TPSA) of 56.15 Ų, BAS 01058409 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058409 has 1 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 01058409?
The CAS number of BAS 01058409 is 420825-85-0.
What is the molecular formula of BAS 01058409?
The molecular formula of BAS 01058409 is C12H15ClF3N3O2.
What is the molecular weight of BAS 01058409?
The molecular weight of BAS 01058409 is 325.08 g/mol.
Where can I buy BAS 01058409?
You can request a quote for BAS 01058409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058409?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.