A0521/0024121
TL;DR: A0521/0024121 (CAS 349486-74-4) is a chemical compound with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoic acid
Also Known As: A0521/0024121, 4-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid, 4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 4-({[4,6-DIOXO-2-THIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}AMINO)BENZOIC ACID, 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid
| Molecular Formula | C12H9N3O4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.03137 |
| Heavy Atoms | 20 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 349486-74-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | IWNUQSABOAKNBD-UHFFFAOYSA-N |
Product Overview
A0521/0024121 (CAS 349486-74-4), with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol. IUPAC: 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzoic acid.
Chemical Property Profile of A0521/0024121
Property Insights of A0521/0024121
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0521/0024121. The TPSA of 143.0 Ų indicates high polarity, suggesting A0521/0024121 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A0521/0024121 has 4 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 A0521/0024121?
The CAS number of A0521/0024121 is 349486-74-4.
What is the molecular formula of A0521/0024121?
The molecular formula of A0521/0024121 is C12H9N3O4S.
What is the molecular weight of A0521/0024121?
The molecular weight of A0521/0024121 is 291.03 g/mol.
Where can I buy A0521/0024121?
You can request a quote for A0521/0024121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0521/0024121?
Yes, KEHONG BIO provides custom synthesis services for A0521/0024121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.