![6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione structure](/static/products/7879/78790-68-8.webp)
6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
TL;DR: 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione (CAS 78790-68-8) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
Also Known As: 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione, 6-Hydroxy-1,3-dimethyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione, 6-hydroxy-1,3-dimethyl-2,3,4,9-tetrahyd-ro-1h-pyrimido[4,5-b]indole-2,4-dione
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 78790-68-8 |
|---|---|
| SMILES | CN1C2=C(C3=C(N2)C=CC(=C3)O)C(=O)N(C1=O)C |
| InChIKey | PSDLPGNNYDZCRH-UHFFFAOYSA-N |
Product Overview
6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione (CAS 78790-68-8), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione.
Chemical Property Profile of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
Property Insights of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione. Following Lipinski's Rule of Five, 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione has 2 hydrogen bond donor(s) and 3 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 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The CAS number of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is 78790-68-8.
What is the molecular formula of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The molecular formula of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is C12H11N3O3.
What is the molecular weight of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The molecular weight of 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is 245.08 g/mol.
Where can I buy 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
You can request a quote for 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.