2K-638S
TL;DR: 2K-638S (CAS 861208-57-3) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
Also Known As: 2K-638S, methyl 2-[(3-methyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate, methyl 2-{[(6-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyrimidinyl)carbonyl]amino}benzenecarboxylate, methyl 2-(6-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidine-4-amido)benzoate, Methyl 2-[(1-methyl-2,6-dioxo-3H-pyrimidine-4-carbonyl)amino]benzoate
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 0.1125 |
| Topological Polar Surface Area | 110.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 818.7922 |
Chemical Identifiers
| CAS Number | 861208-57-3 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)C(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
2K-638S (CAS 861208-57-3), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: methyl 2-[(3-methyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate.
Chemical Property Profile of 2K-638S
Property Insights of 2K-638S
The XLogP value of 0.1125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2K-638S. The TPSA of 110.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2K-638S. Following Lipinski's Rule of Five, 2K-638S 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 2K-638S?
The CAS number of 2K-638S is 861208-57-3.
What is the molecular formula of 2K-638S?
The molecular formula of 2K-638S is C14H13N3O5.
What is the molecular weight of 2K-638S?
The molecular weight of 2K-638S is 303.09 g/mol.
Where can I buy 2K-638S?
You can request a quote for 2K-638S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2K-638S?
Yes, KEHONG BIO provides custom synthesis services for 2K-638S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.