![3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione structure](/static/products/6043/60432-02-2.webp)
3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione
TL;DR: 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione (CAS 60432-02-2) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,9-dihydropyrimido[4,5-b]indole-2,4-dione
Also Known As: 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione, NCI60_028827, W-2880, 3-methyl-1,9-dihydropyrimido[4,5-b]indole-2,4-dione
| Molecular Formula | C11H9N3O2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.06947 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 60432-02-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC3=CC=CC=C32)NC1=O |
| InChIKey | HEEARGJAHYXFPS-UHFFFAOYSA-N |
Product Overview
3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione (CAS 60432-02-2), with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol. IUPAC: 3-methyl-1,9-dihydropyrimido[4,5-b]indole-2,4-dione.
Chemical Property Profile of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione
Property Insights of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione. Following Lipinski's Rule of Five, 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione has 2 hydrogen bond donor(s) and 2 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 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The CAS number of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione is 60432-02-2.
What is the molecular formula of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The molecular formula of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione is C11H9N3O2.
What is the molecular weight of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The molecular weight of 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione is 215.07 g/mol.
Where can I buy 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
You can request a quote for 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1H-pyrimido[4,5-b]indole-2,4(3H,9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.