![3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/3314/331443-91-5.webp)
3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 331443-91-5) is a chemical compound with molecular formula C10H7FN4O and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-8-fluoro-5H-pyrimido[5,4-b]indol-4-one
Also Known As: BAS 00411392, 3-amino-8-fluoro-5H-pyrimido[5,4-b]indol-4-one, 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-amino-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-Amino-6-fluoro-2,9-dihydro-2,4,9-triaza-fluoren-1-one
| Molecular Formula | C10H7FN4O |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0604 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 331443-91-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C3=C(N2)C(=O)N(C=N3)N |
| InChIKey | LNDXUKPVCYRMLX-UHFFFAOYSA-N |
Product Overview
3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 331443-91-5), with molecular formula C10H7FN4O and molecular weight 218.06 g/mol. IUPAC: 3-amino-8-fluoro-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 2 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 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 331443-91-5.
What is the molecular formula of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C10H7FN4O.
What is the molecular weight of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 218.06 g/mol.
Where can I buy 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.