![8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione structure](/static/products/4623/4623-45-4.webp)
8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
TL;DR: 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CAS 4623-45-4) is a chemical compound with molecular formula C24H18FN5O3S and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 8-Fluoro-3-{[(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C24H18FN5O3S |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 3.8883 |
| Topological Polar Surface Area | 105.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.11145 |
| Heavy Atoms | 34 |
| Complexity | 1657.1715 |
Chemical Identifiers
| CAS Number | 4623-45-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O)CSC5=CC=CC=N5 |
Product Overview
8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CAS 4623-45-4), with molecular formula C24H18FN5O3S and molecular weight 475.11 g/mol. IUPAC: 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Property Insights of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
The XLogP value of 3.8883 indicates that 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione. Following Lipinski's Rule of Five, 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione has 2 hydrogen bond donor(s) and 6 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 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The CAS number of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is 4623-45-4.
What is the molecular formula of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The molecular formula of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is C24H18FN5O3S.
What is the molecular weight of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The molecular weight of 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is 475.11 g/mol.
Where can I buy 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
You can request a quote for 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-fluoro-3-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.