C23H20N4O4
TL;DR: C23H20N4O4 (CAS 956189-98-3) is a chemical compound with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[(8S)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]iminomethyl]benzoate
Also Known As: (S,E)-methyl 4-(((1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)imino)methyl)benzoate, methyl 4-[(E)-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}methyl]benzoate
| Molecular Formula | C23H20N4O4 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 2.0841 |
| Topological Polar Surface Area | 95.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.14847 |
| Heavy Atoms | 31 |
| Complexity | 1228.1073 |
Chemical Identifiers
| CAS Number | 956189-98-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2CC(=O)N3CC4=C(C[C@H]3C2=O)C5=CC=CC=C5N4 |
Product Overview
C23H20N4O4 (CAS 956189-98-3), with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol. IUPAC: methyl 4-[(E)-[(8S)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]iminomethyl]benzoate.
Chemical Property Profile of C23H20N4O4
Property Insights of C23H20N4O4
The XLogP value of 2.0841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H20N4O4. The TPSA of 95.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H20N4O4. Following Lipinski's Rule of Five, C23H20N4O4 has 1 hydrogen bond donor(s) and 5 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 C23H20N4O4?
The CAS number of C23H20N4O4 is 956189-98-3.
What is the molecular formula of C23H20N4O4?
The molecular formula of C23H20N4O4 is C23H20N4O4.
What is the molecular weight of C23H20N4O4?
The molecular weight of C23H20N4O4 is 416.15 g/mol.
Where can I buy C23H20N4O4?
You can request a quote for C23H20N4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H20N4O4?
Yes, KEHONG BIO provides custom synthesis services for C23H20N4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.