NCI60_028563
TL;DR: NCI60_028563 (CAS 161300-74-9) is a chemical compound with molecular formula C36H50N2O6 and molecular weight 606.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(4-acetamidopent-2-en-2-yl)-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-21-yl] carbamate
Also Known As: NCI60_028563, Acetamide, N-[3-[17-[(aminocarbonyl)oxy]- 9,10,14a,16a,17,18
| Molecular Formula | C36H50N2O6 |
|---|---|
| Molecular Weight | 606.37 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 606.3669 |
| Heavy Atoms | 44 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 161300-74-9 |
|---|---|
| SMILES | CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(=CC(C)NC(=O)C)C)C)C)CC(CC3OC(=O)N)OC)C |
| InChIKey | MLNSAHTXSCMXCL-UHFFFAOYSA-N |
Product Overview
NCI60_028563 (CAS 161300-74-9), with molecular formula C36H50N2O6 and molecular weight 606.37 g/mol. IUPAC: [7-(4-acetamidopent-2-en-2-yl)-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-21-yl] carbamate.
Chemical Property Profile of NCI60_028563
Property Insights of NCI60_028563
The XLogP value of 6.1 indicates that NCI60_028563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_028563. Following Lipinski's Rule of Five, NCI60_028563 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_028563?
The CAS number of NCI60_028563 is 161300-74-9.
What is the molecular formula of NCI60_028563?
The molecular formula of NCI60_028563 is C36H50N2O6.
What is the molecular weight of NCI60_028563?
The molecular weight of NCI60_028563 is 606.37 g/mol.
Where can I buy NCI60_028563?
You can request a quote for NCI60_028563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_028563?
Yes, KEHONG BIO provides custom synthesis services for NCI60_028563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.