![3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/374/374085-46-8.png)
3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 374085-46-8) is a chemical compound with molecular formula C17H11ClN4O2 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, (E)-3-((2-chlorobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C17H11ClN4O2 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 2.7067 |
| Topological Polar Surface Area | 83.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.05707 |
| Heavy Atoms | 24 |
| Complexity | 1216.6918 |
Chemical Identifiers
| CAS Number | 374085-46-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)Cl |
Product Overview
3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 374085-46-8), with molecular formula C17H11ClN4O2 and molecular weight 338.06 g/mol. IUPAC: 3-[(E)-(2-chlorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.7067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 83.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-{[(E)-(2-chlorophenyl)methylidene]amino}-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)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 374085-46-8.
What is the molecular formula of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C17H11ClN4O2.
What is the molecular weight of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 338.06 g/mol.
Where can I buy 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for 3-{[(E)-(2-chlorophenyl)methylidene]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 3-{[(E)-(2-chlorophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(2-chlorophenyl)methylidene]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.