NCI60_037335
TL;DR: NCI60_037335 (CAS 211359-82-9) is a chemical compound with molecular formula C25H33N3O4 and molecular weight 439.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-[(8S)-2-(2-methylpropyl)-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_037335, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid, 1,2,3,4,6,7,12,12a-octahydro-6-(2-methylpropyl)-1,4-dioxo-, 1,1-dimethylethyl ester, (12aS)-, tert-butyl 3-[(12as)-6-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl]propanoate
| Molecular Formula | C25H33N3O4 |
|---|---|
| Molecular Weight | 439.25 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.2471 |
| Heavy Atoms | 32 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 211359-82-9 |
|---|---|
| SMILES | CC(C)CC1C2=C(C[C@@H]3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2 |
| InChIKey | BCZFDPQIRPGIJS-MHJFOBGBSA-N |
Product Overview
NCI60_037335 (CAS 211359-82-9), with molecular formula C25H33N3O4 and molecular weight 439.25 g/mol. IUPAC: tert-butyl 3-[(8S)-2-(2-methylpropyl)-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_037335
Property Insights of NCI60_037335
The XLogP value of 3.5 indicates that NCI60_037335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_037335. Following Lipinski's Rule of Five, NCI60_037335 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_037335?
The CAS number of NCI60_037335 is 211359-82-9.
What is the molecular formula of NCI60_037335?
The molecular formula of NCI60_037335 is C25H33N3O4.
What is the molecular weight of NCI60_037335?
The molecular weight of NCI60_037335 is 439.25 g/mol.
Where can I buy NCI60_037335?
You can request a quote for NCI60_037335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037335?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.