1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
TL;DR: 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde (CAS 98879-86-8) is a chemical compound with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carbaldehyde
Also Known As: 1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carbaldehyde, AB-323/13887262, 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-pteridinecarbaldehyde, 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,3-dihydropteridine-6-carbaldehyde
| Molecular Formula | C9H8N4O4 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | -1.867 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.05455 |
| Heavy Atoms | 17 |
| Complexity | 795.46387 |
Chemical Identifiers
| CAS Number | 98879-86-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O |
Product Overview
1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde (CAS 98879-86-8), with molecular formula C9H8N4O4 and molecular weight 236.05 g/mol. IUPAC: 1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carbaldehyde.
Chemical Property Profile of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
Property Insights of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
The XLogP value of -1.867 indicates that 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde 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 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde?
The CAS number of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde is 98879-86-8.
What is the molecular formula of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde?
The molecular formula of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde is C9H8N4O4.
What is the molecular weight of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde?
The molecular weight of 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde is 236.05 g/mol.
Where can I buy 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde?
You can request a quote for 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.