![4-methoxy-5H-pyrimido[5,4-b]indole structure](/static/products/987/98792-05-3.png)
4-methoxy-5H-pyrimido[5,4-b]indole
TL;DR: 4-methoxy-5H-pyrimido[5,4-b]indole (CAS 98792-05-3) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-5H-pyrimido[5,4-b]indole
Also Known As: 4-methoxy-5H-pyrimido[5,4-b]indole, ChemDiv2_000976, 4-methoxypyrimido[5,4-b]indole, 4-methoxypyrimidino[5,4-b]indole, BAS 00411419
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 98792-05-3 |
|---|---|
| SMILES | COC1=NC=NC2=C1NC3=CC=CC=C32 |
| InChIKey | XQIMMDYOTFSXRP-UHFFFAOYSA-N |
Product Overview
4-methoxy-5H-pyrimido[5,4-b]indole (CAS 98792-05-3), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 4-methoxy-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-methoxy-5H-pyrimido[5,4-b]indole
Property Insights of 4-methoxy-5H-pyrimido[5,4-b]indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-5H-pyrimido[5,4-b]indole. With a topological polar surface area (TPSA) of 50.8 Ų, 4-methoxy-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-5H-pyrimido[5,4-b]indole 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 4-methoxy-5H-pyrimido[5,4-b]indole?
The CAS number of 4-methoxy-5H-pyrimido[5,4-b]indole is 98792-05-3.
What is the molecular formula of 4-methoxy-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-methoxy-5H-pyrimido[5,4-b]indole is C11H9N3O.
What is the molecular weight of 4-methoxy-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-methoxy-5H-pyrimido[5,4-b]indole is 199.07 g/mol.
Where can I buy 4-methoxy-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-methoxy-5H-pyrimido[5,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.