BAS 01058411
TL;DR: BAS 01058411 (CAS 351987-45-6) is a chemical compound with molecular formula C14H10ClF6N3O2 and molecular weight 401.04 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-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: BAS 01058411, AB00098493-01, 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-N-[4-(trifluoromethoxy)phen yl]acetamide
| Molecular Formula | C14H10ClF6N3O2 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 4.40102 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.03656 |
| Heavy Atoms | 26 |
| Complexity | 798.7391 |
Chemical Identifiers
| CAS Number | 351987-45-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(F)(F)F)Cl |
Product Overview
BAS 01058411 (CAS 351987-45-6), with molecular formula C14H10ClF6N3O2 and molecular weight 401.04 g/mol. IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of BAS 01058411
Property Insights of BAS 01058411
The XLogP value of 4.40102 indicates that BAS 01058411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, BAS 01058411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058411 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 01058411?
The CAS number of BAS 01058411 is 351987-45-6.
What is the molecular formula of BAS 01058411?
The molecular formula of BAS 01058411 is C14H10ClF6N3O2.
What is the molecular weight of BAS 01058411?
The molecular weight of BAS 01058411 is 401.04 g/mol.
Where can I buy BAS 01058411?
You can request a quote for BAS 01058411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058411?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.