TimTec1_002691
TL;DR: TimTec1_002691 (CAS 531530-70-8) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: TimTec1_002691, BAS 04852589, ethyl 2-(3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate, ethyl [3-(4-chlorophenyl)-7-hydroxy-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate, ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.06544 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 1003.0636 |
Chemical Identifiers
| CAS Number | 531530-70-8 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)C)C3=CC=C(C=C3)Cl)C |
Product Overview
TimTec1_002691 (CAS 531530-70-8), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: ethyl 2-[3-(4-chlorophenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of TimTec1_002691
Property Insights of TimTec1_002691
The XLogP value of 3.06544 indicates that TimTec1_002691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002691. Following Lipinski's Rule of Five, TimTec1_002691 has 1 hydrogen bond donor(s) and 4 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_002691?
The CAS number of TimTec1_002691 is 531530-70-8.
What is the molecular formula of TimTec1_002691?
The molecular formula of TimTec1_002691 is C18H18ClN3O3.
What is the molecular weight of TimTec1_002691?
The molecular weight of TimTec1_002691 is 359.10 g/mol.
Where can I buy TimTec1_002691?
You can request a quote for TimTec1_002691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002691?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.