TimTec1_000836
TL;DR: TimTec1_000836 (CAS 303137-38-4) is a chemical compound with molecular formula C17H21BrN2O5 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: TimTec1_000836, BAS 00714416, ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BRD-A91199762-001-01-3, ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H21BrN2O5 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 3.1345 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0634 |
| Heavy Atoms | 25 |
| Complexity | 717.2349 |
Chemical Identifiers
| CAS Number | 303137-38-4 |
|---|---|
| SMILES | CCCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC |
Product Overview
TimTec1_000836 (CAS 303137-38-4), with molecular formula C17H21BrN2O5 and molecular weight 412.06 g/mol. IUPAC: ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of TimTec1_000836
Property Insights of TimTec1_000836
The XLogP value of 3.1345 indicates that TimTec1_000836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000836. Following Lipinski's Rule of Five, TimTec1_000836 has 3 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 TimTec1_000836?
The CAS number of TimTec1_000836 is 303137-38-4.
What is the molecular formula of TimTec1_000836?
The molecular formula of TimTec1_000836 is C17H21BrN2O5.
What is the molecular weight of TimTec1_000836?
The molecular weight of TimTec1_000836 is 412.06 g/mol.
Where can I buy TimTec1_000836?
You can request a quote for TimTec1_000836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000836?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.