C13H12ClN3O4
TL;DR: C13H12ClN3O4 (CAS 865660-45-3) is a chemical compound with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(2-chloroacetyl)pyrrol-2-ylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione, 5-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H12ClN3O4 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | -0.0508 |
| Topological Polar Surface Area | 93.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.05164 |
| Heavy Atoms | 21 |
| Complexity | 827.04376 |
Chemical Identifiers
| CAS Number | 865660-45-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=C2C=C(C=N2)C(=O)CCl)O |
Product Overview
C13H12ClN3O4 (CAS 865660-45-3), with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol. IUPAC: 5-[[4-(2-chloroacetyl)pyrrol-2-ylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of C13H12ClN3O4
Property Insights of C13H12ClN3O4
The XLogP value of -0.0508 indicates that C13H12ClN3O4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.66 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H12ClN3O4. Following Lipinski's Rule of Five, C13H12ClN3O4 has 1 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 C13H12ClN3O4?
The CAS number of C13H12ClN3O4 is 865660-45-3.
What is the molecular formula of C13H12ClN3O4?
The molecular formula of C13H12ClN3O4 is C13H12ClN3O4.
What is the molecular weight of C13H12ClN3O4?
The molecular weight of C13H12ClN3O4 is 309.05 g/mol.
Where can I buy C13H12ClN3O4?
You can request a quote for C13H12ClN3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H12ClN3O4?
Yes, KEHONG BIO provides custom synthesis services for C13H12ClN3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.