BAS 01058432
TL;DR: BAS 01058432 (CAS 351987-79-6) is a chemical compound with molecular formula C18H19ClF3N3O3S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01058432, ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-({2-[4-CHLORO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ACETYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H19ClF3N3O3S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.61942 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.07877 |
| Heavy Atoms | 29 |
| Complexity | 952.5238 |
Chemical Identifiers
| CAS Number | 351987-79-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Cl)C |
Product Overview
BAS 01058432 (CAS 351987-79-6), with molecular formula C18H19ClF3N3O3S and molecular weight 449.08 g/mol. IUPAC: ethyl 2-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01058432
Property Insights of BAS 01058432
The XLogP value of 4.61942 indicates that BAS 01058432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01058432. Following Lipinski's Rule of Five, BAS 01058432 has 1 hydrogen bond donor(s) and 5 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 01058432?
The CAS number of BAS 01058432 is 351987-79-6.
What is the molecular formula of BAS 01058432?
The molecular formula of BAS 01058432 is C18H19ClF3N3O3S.
What is the molecular weight of BAS 01058432?
The molecular weight of BAS 01058432 is 449.08 g/mol.
Where can I buy BAS 01058432?
You can request a quote for BAS 01058432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058432?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.