AB01334113-02
TL;DR: AB01334113-02 (CAS 488854-99-5) is a chemical compound with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB01334113-02, tert-butyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, tert-butyl 4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, tert-butyl 6-(3-chlorophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19ClN2O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.3096 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.10843 |
| Heavy Atoms | 22 |
| Complexity | 647.03613 |
Chemical Identifiers
| CAS Number | 488854-99-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)OC(C)(C)C |
Product Overview
AB01334113-02 (CAS 488854-99-5), with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol. IUPAC: tert-butyl 4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB01334113-02
Property Insights of AB01334113-02
The XLogP value of 3.3096 indicates that AB01334113-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01334113-02. Following Lipinski's Rule of Five, AB01334113-02 has 2 hydrogen bond donor(s) and 3 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 AB01334113-02?
The CAS number of AB01334113-02 is 488854-99-5.
What is the molecular formula of AB01334113-02?
The molecular formula of AB01334113-02 is C16H19ClN2O3.
What is the molecular weight of AB01334113-02?
The molecular weight of AB01334113-02 is 322.11 g/mol.
Where can I buy AB01334113-02?
You can request a quote for AB01334113-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01334113-02?
Yes, KEHONG BIO provides custom synthesis services for AB01334113-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.