TimTec1_005585
TL;DR: TimTec1_005585 (CAS 306752-95-4) is a chemical compound with molecular formula C15H13F3N2O5 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: TimTec1_005585, BAS 00915716, AB01321388-02, A1774/0075224, 2,2,2-TRIFLUOROETHYL 4-(1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C15H13F3N2O5 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 2.1487 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.07767 |
| Heavy Atoms | 25 |
| Complexity | 760.024 |
Chemical Identifiers
| CAS Number | 306752-95-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(F)(F)F |
Product Overview
TimTec1_005585 (CAS 306752-95-4), with molecular formula C15H13F3N2O5 and molecular weight 358.08 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of TimTec1_005585
Property Insights of TimTec1_005585
The XLogP value of 2.1487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005585. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005585. Following Lipinski's Rule of Five, TimTec1_005585 has 2 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_005585?
The CAS number of TimTec1_005585 is 306752-95-4.
What is the molecular formula of TimTec1_005585?
The molecular formula of TimTec1_005585 is C15H13F3N2O5.
What is the molecular weight of TimTec1_005585?
The molecular weight of TimTec1_005585 is 358.08 g/mol.
Where can I buy TimTec1_005585?
You can request a quote for TimTec1_005585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005585?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.