![1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione structure](/static/products/1151/115127-16-7.webp)
1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
TL;DR: 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione (CAS 115127-16-7) is a chemical compound with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-dihydropyrimido[4,5-b]indole-2,4-dione
Also Known As: 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione, 9H-Pyrimido[4,5-b]indole-2,4-diol, 1,9-dihydropyrimido[4,5-b]indole-2,4-dione, 2-Hydroxy-9H-pyrido<2,3-b>indole, 9543AC
| Molecular Formula | C10H7N3O2 |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.05383 |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 115127-16-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)NC(=O)NC3=O |
| InChIKey | SDJWQYSENOMSPV-UHFFFAOYSA-N |
Product Overview
1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione (CAS 115127-16-7), with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol. IUPAC: 1,9-dihydropyrimido[4,5-b]indole-2,4-dione.
Chemical Property Profile of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
Property Insights of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione. Following Lipinski's Rule of Five, 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione has 3 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 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The CAS number of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione is 115127-16-7.
What is the molecular formula of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The molecular formula of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione is C10H7N3O2.
What is the molecular weight of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
The molecular weight of 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione is 201.05 g/mol.
Where can I buy 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
You can request a quote for 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 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 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.