AB00678413-01
TL;DR: AB00678413-01 (CAS 891101-27-2) is a chemical compound with molecular formula C14H13FN4O3S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-2-oxoethyl)sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide
Also Known As: AB00678413-01, F2501-0113, 2-(2-amino-2-oxoethyl)sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide, 2-((2-amino-2-oxoethyl)thio)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C14H13FN4O3S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 0.7491 |
| Topological Polar Surface Area | 107.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.06924 |
| Heavy Atoms | 23 |
| Complexity | 804.66 |
Chemical Identifiers
| CAS Number | 891101-27-2 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SCC(=O)N)C(=O)NC2=CC=C(C=C2)F |
Product Overview
AB00678413-01 (CAS 891101-27-2), with molecular formula C14H13FN4O3S and molecular weight 336.07 g/mol. IUPAC: 2-(2-amino-2-oxoethyl)sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide.
Chemical Property Profile of AB00678413-01
Property Insights of AB00678413-01
The XLogP value of 0.7491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00678413-01. The TPSA of 107.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678413-01. Following Lipinski's Rule of Five, AB00678413-01 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 AB00678413-01?
The CAS number of AB00678413-01 is 891101-27-2.
What is the molecular formula of AB00678413-01?
The molecular formula of AB00678413-01 is C14H13FN4O3S.
What is the molecular weight of AB00678413-01?
The molecular weight of AB00678413-01 is 336.07 g/mol.
Where can I buy AB00678413-01?
You can request a quote for AB00678413-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678413-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678413-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.