AB01228371-03
TL;DR: AB01228371-03 (CAS 312587-64-7) is a chemical compound with molecular formula C15H13Cl3N2O5 and molecular weight 405.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB01228371-03, 2,2,2-trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,2-trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2,2,2-TRICHLOROETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 2,2,2-trichloroethyl 4-(benzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C15H13Cl3N2O5 |
|---|---|
| Molecular Weight | 405.99 g/mol |
| LogP | 2.9566 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.989 |
| Heavy Atoms | 25 |
| Complexity | 760.024 |
Chemical Identifiers
| CAS Number | 312587-64-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(Cl)(Cl)Cl |
Product Overview
AB01228371-03 (CAS 312587-64-7), with molecular formula C15H13Cl3N2O5 and molecular weight 405.99 g/mol. IUPAC: 2,2,2-trichloroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB01228371-03
Property Insights of AB01228371-03
The XLogP value of 2.9566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01228371-03. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01228371-03. Following Lipinski's Rule of Five, AB01228371-03 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 AB01228371-03?
The CAS number of AB01228371-03 is 312587-64-7.
What is the molecular formula of AB01228371-03?
The molecular formula of AB01228371-03 is C15H13Cl3N2O5.
What is the molecular weight of AB01228371-03?
The molecular weight of AB01228371-03 is 405.99 g/mol.
Where can I buy AB01228371-03?
You can request a quote for AB01228371-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01228371-03?
Yes, KEHONG BIO provides custom synthesis services for AB01228371-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.