![4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole structure](/static/products/845/845987-59-9.png)
4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole
TL;DR: 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole (CAS 845987-59-9) is a chemical compound with molecular formula C14H14FN3O and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole
Also Known As: 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole, 4-butoxy-8-fluoro-5H-pyrimid[5,4-b]indole, 4-butoxy-8-fluoranyl-5H-pyrimido[5,4-b]indole
| Molecular Formula | C14H14FN3O |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.1121 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 845987-59-9 |
|---|---|
| SMILES | CCCCOC1=NC=NC2=C1NC3=C2C=C(C=C3)F |
| InChIKey | RNRSUFSQCJVVCE-UHFFFAOYSA-N |
Product Overview
4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole (CAS 845987-59-9), with molecular formula C14H14FN3O and molecular weight 259.11 g/mol. IUPAC: 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole
Property Insights of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole
The XLogP value of 3.4 indicates that 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 4 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-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole?
The CAS number of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole is 845987-59-9.
What is the molecular formula of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole is C14H14FN3O.
What is the molecular weight of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole is 259.11 g/mol.
Where can I buy 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-butoxy-8-fluoro-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-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.