![3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/299/299409-08-8.png)
3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 299409-08-8) is a chemical compound with molecular formula C18H13ClN4O2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-chlorophenyl)methylideneamino]-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, (E)-3-((4-chlorobenzylidene)amino)-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-8-methyl-1,3-dihydropyrimidino[5,4-b]in dole-2,4-dione, 3-[(E)-(4-chlorophenyl)methylideneamino]-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C18H13ClN4O2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 3.01512 |
| Topological Polar Surface Area | 83.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.0727 |
| Heavy Atoms | 25 |
| Complexity | 1246.5275 |
Chemical Identifiers
| CAS Number | 299409-08-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)/N=C/C4=CC=C(C=C4)Cl |
Product Overview
3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 299409-08-8), with molecular formula C18H13ClN4O2 and molecular weight 352.07 g/mol. IUPAC: 3-[(E)-(4-chlorophenyl)methylideneamino]-8-methyl-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 3.01512 indicates that 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-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 83.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 299409-08-8.
What is the molecular formula of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C18H13ClN4O2.
What is the molecular weight of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 352.07 g/mol.
Where can I buy 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-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 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(4-chlorophenyl)methylidene]amino}-8-methyl-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.