BIM-0034315.P001
TL;DR: BIM-0034315.P001 (CAS 353772-36-8) is a chemical compound with molecular formula C19H20F3N5O2S and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BIM-0034315.P001, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((2-morpholinoethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-[(2-MORPHOLINOETHYL)ETHANIMIDOYL]-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, (4E)-1-(1,3-BENZOTHIAZOL-2-YL)-4-(1-{[2-(MORPHOLIN-4-YL)ETHYL]AMINO}ETHYLIDENE)-3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C19H20F3N5O2S |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 2.9353 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.12897 |
| Heavy Atoms | 30 |
| Complexity | 1092.3304 |
Chemical Identifiers
| CAS Number | 353772-36-8 |
|---|---|
| SMILES | CC(=NCCN1CCOCC1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BIM-0034315.P001 (CAS 353772-36-8), with molecular formula C19H20F3N5O2S and molecular weight 439.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BIM-0034315.P001
Property Insights of BIM-0034315.P001
The XLogP value of 2.9353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0034315.P001. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0034315.P001. Following Lipinski's Rule of Five, BIM-0034315.P001 has 1 hydrogen bond donor(s) and 6 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 BIM-0034315.P001?
The CAS number of BIM-0034315.P001 is 353772-36-8.
What is the molecular formula of BIM-0034315.P001?
The molecular formula of BIM-0034315.P001 is C19H20F3N5O2S.
What is the molecular weight of BIM-0034315.P001?
The molecular weight of BIM-0034315.P001 is 439.13 g/mol.
Where can I buy BIM-0034315.P001?
You can request a quote for BIM-0034315.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0034315.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0034315.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.