SCC7A7FS0B
TL;DR: SCC7A7FS0B (CAS 52199-05-0) is a chemical compound with molecular formula C14H11N5O4 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: ChemDiv2_001518, BAS 06290978, Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-, 3-(1,3-Benzodioxol-5-yl)-1,6-dimethylpyrimido(5,4-E)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]t
| Molecular Formula | C14H11N5O4 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.08112 |
| Heavy Atoms | 23 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 52199-05-0 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC4=C(C=C3)OCO4)C |
| InChIKey | FEQRWFABERLIOV-UHFFFAOYSA-N |
Product Overview
SCC7A7FS0B (CAS 52199-05-0), with molecular formula C14H11N5O4 and molecular weight 313.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of SCC7A7FS0B
Property Insights of SCC7A7FS0B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SCC7A7FS0B. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for SCC7A7FS0B. Following Lipinski's Rule of Five, SCC7A7FS0B has 0 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 SCC7A7FS0B?
The CAS number of SCC7A7FS0B is 52199-05-0.
What is the molecular formula of SCC7A7FS0B?
The molecular formula of SCC7A7FS0B is C14H11N5O4.
What is the molecular weight of SCC7A7FS0B?
The molecular weight of SCC7A7FS0B is 313.08 g/mol.
Where can I buy SCC7A7FS0B?
You can request a quote for SCC7A7FS0B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SCC7A7FS0B?
Yes, KEHONG BIO provides custom synthesis services for SCC7A7FS0B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.