NCI60_037322
TL;DR: NCI60_037322 (CAS 211359-78-3) is a chemical compound with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
Also Known As: NCI60_037322, J1.464.995F, 1,4-Dioxo-6-ethyl-1,2,3,4,6,7,12,12aalpha-octahydropyrazino[1 ,2 :1,6]pyrido[3,4-b]indole-3-propionic acid tert-butyl ester, tert-butyl 3-[(12as)-6-ethyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl]propanoate, tert-butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
| Molecular Formula | C23H29N3O4 |
|---|---|
| Molecular Weight | 411.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.21582 |
| Heavy Atoms | 30 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 211359-78-3 |
|---|---|
| SMILES | CCC1C2=C(C[C@@H]3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2 |
| InChIKey | MSEKYFBUODOFAK-ABHNRTSZSA-N |
Product Overview
NCI60_037322 (CAS 211359-78-3), with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol. IUPAC: tert-butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate.
Chemical Property Profile of NCI60_037322
Property Insights of NCI60_037322
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_037322. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_037322. Following Lipinski's Rule of Five, NCI60_037322 has 2 hydrogen bond donor(s) and 4 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 NCI60_037322?
The CAS number of NCI60_037322 is 211359-78-3.
What is the molecular formula of NCI60_037322?
The molecular formula of NCI60_037322 is C23H29N3O4.
What is the molecular weight of NCI60_037322?
The molecular weight of NCI60_037322 is 411.22 g/mol.
Where can I buy NCI60_037322?
You can request a quote for NCI60_037322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037322?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.