![(E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/672/672933-91-4.png)
(E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672933-91-4) is a chemical compound with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 8-chloro-2-hydroxy-3-{[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 8-chloro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C24H18ClN5O3S |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 4.4026 |
| Topological Polar Surface Area | 105.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.08188 |
| Heavy Atoms | 34 |
| Complexity | 1657.1715 |
Chemical Identifiers
| CAS Number | 672933-91-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)NC2=O)CSC5=CC=CC=N5 |
Product Overview
(E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672933-91-4), with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol. IUPAC: 8-chloro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 4.4026 indicates that (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-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 (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-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 (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 672933-91-4.
What is the molecular formula of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C24H18ClN5O3S.
What is the molecular weight of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 491.08 g/mol.
Where can I buy (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-chloro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.