![6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione structure](/static/products/7879/78790-71-3.webp)
6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
TL;DR: 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione (CAS 78790-71-3) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
Also Known As: 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione, 6-Methoxy-1,3-dimethyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 78790-71-3 |
|---|---|
| SMILES | CN1C2=C(C3=C(N2)C=CC(=C3)OC)C(=O)N(C1=O)C |
| InChIKey | FDXMXZPUBSAWAY-UHFFFAOYSA-N |
Product Overview
6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione (CAS 78790-71-3), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione.
Chemical Property Profile of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
Property Insights of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione. Following Lipinski's Rule of Five, 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione has 1 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-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The CAS number of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is 78790-71-3.
What is the molecular formula of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The molecular formula of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is C13H13N3O3.
What is the molecular weight of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
The molecular weight of 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione is 259.10 g/mol.
Where can I buy 6-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
You can request a quote for 6-methoxy-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-methoxy-1,3-dimethyl-9H-pyrimido[4,5-b]indole-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-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.