AB01323704-02
TL;DR: AB01323704-02 (CAS 313550-98-0) is a chemical compound with molecular formula C16H12BrF5N2O5 and molecular weight 485.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-pentafluoropropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB01323704-02, 2,2,3,3,3-pentafluoropropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,3,3,3-pentafluoropropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,3,3,3-pentafluoropropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2,2,3,3,3-pentafluoropropyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H12BrF5N2O5 |
|---|---|
| Molecular Weight | 485.98 g/mol |
| LogP | 3.5465 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.98495 |
| Heavy Atoms | 29 |
| Complexity | 902.42206 |
Chemical Identifiers
| CAS Number | 313550-98-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC(C(F)(F)F)(F)F |
Product Overview
AB01323704-02 (CAS 313550-98-0), with molecular formula C16H12BrF5N2O5 and molecular weight 485.98 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB01323704-02
Property Insights of AB01323704-02
The XLogP value of 3.5465 indicates that AB01323704-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01323704-02. Following Lipinski's Rule of Five, AB01323704-02 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 AB01323704-02?
The CAS number of AB01323704-02 is 313550-98-0.
What is the molecular formula of AB01323704-02?
The molecular formula of AB01323704-02 is C16H12BrF5N2O5.
What is the molecular weight of AB01323704-02?
The molecular weight of AB01323704-02 is 485.98 g/mol.
Where can I buy AB01323704-02?
You can request a quote for AB01323704-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01323704-02?
Yes, KEHONG BIO provides custom synthesis services for AB01323704-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.