NCI60_037331
TL;DR: NCI60_037331 (CAS 211359-80-7) is a chemical compound with molecular formula C27H35N3O4 and molecular weight 465.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-[(8S)-2-cyclohexyl-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_037331, J1.465.005I, 1,4-Dioxo-6-cyclohexyl-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-[(8S)-2-cyclohexyl-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 | C27H35N3O4 |
|---|---|
| Molecular Weight | 465.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.26276 |
| Heavy Atoms | 34 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 211359-80-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC1C(=O)N2[C@@H](CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1 |
| InChIKey | ICGYPZZDGBLMPO-DQBMGFJSSA-N |
Product Overview
NCI60_037331 (CAS 211359-80-7), with molecular formula C27H35N3O4 and molecular weight 465.26 g/mol. IUPAC: tert-butyl 3-[(8S)-2-cyclohexyl-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_037331
Property Insights of NCI60_037331
The XLogP value of 4.2 indicates that NCI60_037331 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_037331. Following Lipinski's Rule of Five, NCI60_037331 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_037331?
The CAS number of NCI60_037331 is 211359-80-7.
What is the molecular formula of NCI60_037331?
The molecular formula of NCI60_037331 is C27H35N3O4.
What is the molecular weight of NCI60_037331?
The molecular weight of NCI60_037331 is 465.26 g/mol.
Where can I buy NCI60_037331?
You can request a quote for NCI60_037331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037331?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.