TimTec1_006297
TL;DR: TimTec1_006297 (CAS 523992-07-6) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: TimTec1_006297, A2917/0122930, methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate, (Z)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, 1H-Pyrazole-3-acetic acid, 1-(2-benzothiazolyl)-4,5-dihydro-4-(1-hydroxyethylidene)-5-oxo-, methyl ester
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 523992-07-6 |
|---|---|
| SMILES | CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC |
| InChIKey | RJTQUSWIMYZNAD-UHFFFAOYSA-N |
Product Overview
TimTec1_006297 (CAS 523992-07-6), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: methyl 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of TimTec1_006297
Property Insights of TimTec1_006297
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_006297. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006297. Following Lipinski's Rule of Five, TimTec1_006297 has 1 hydrogen bond donor(s) and 7 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 TimTec1_006297?
The CAS number of TimTec1_006297 is 523992-07-6.
What is the molecular formula of TimTec1_006297?
The molecular formula of TimTec1_006297 is C15H13N3O4S.
What is the molecular weight of TimTec1_006297?
The molecular weight of TimTec1_006297 is 331.06 g/mol.
Where can I buy TimTec1_006297?
You can request a quote for TimTec1_006297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006297?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.