ChemDiv3_001652
TL;DR: ChemDiv3_001652 (CAS 324544-99-2) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoate
Also Known As: ChemDiv3_001652, IDI1_020618, METHYL 2-{[(4,6-DIOXO-2-SULFANYLIDENE-1,3-DIAZINAN-5-YLIDENE)METHYL]AMINO}BENZOATE, F0416-0005, methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.67529 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 822.6515 |
Chemical Identifiers
| CAS Number | 324544-99-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=CC2=C(NC(=S)NC2=O)O |
Product Overview
ChemDiv3_001652 (CAS 324544-99-2), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: methyl 2-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoate.
Chemical Property Profile of ChemDiv3_001652
Property Insights of ChemDiv3_001652
The XLogP value of 1.67529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_001652. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001652. Following Lipinski's Rule of Five, ChemDiv3_001652 has 3 hydrogen bond donor(s) and 6 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 ChemDiv3_001652?
The CAS number of ChemDiv3_001652 is 324544-99-2.
What is the molecular formula of ChemDiv3_001652?
The molecular formula of ChemDiv3_001652 is C13H11N3O4S.
What is the molecular weight of ChemDiv3_001652?
The molecular weight of ChemDiv3_001652 is 305.05 g/mol.
Where can I buy ChemDiv3_001652?
You can request a quote for ChemDiv3_001652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001652?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.