NCI60_019587
TL;DR: NCI60_019587 (CAS 6291-98-1) is a chemical compound with molecular formula C30H37NO4 and molecular weight 475.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9-dimethyl-14,16-dioxo-15-phenyl-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
Also Known As: NCI60_019587, AE-848/37296056, isopropyl-dimethyl-dioxo-phenyl-[?]carboxylic acid, 6,9a-dimethyl-1,3-dioxo-2-phenyl-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid, 5,9-Dimethyl-14,16-dioxo-15-phenyl-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid
| Molecular Formula | C30H37NO4 |
|---|---|
| Molecular Weight | 475.27 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.27225 |
| Heavy Atoms | 35 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 6291-98-1 |
|---|---|
| SMILES | CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=CC=C6)(CCCC4(C)C(=O)O)C |
| InChIKey | XFIWQQAILDPLJC-UHFFFAOYSA-N |
Product Overview
NCI60_019587 (CAS 6291-98-1), with molecular formula C30H37NO4 and molecular weight 475.27 g/mol. IUPAC: 5,9-dimethyl-14,16-dioxo-15-phenyl-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid.
Chemical Property Profile of NCI60_019587
Property Insights of NCI60_019587
The XLogP value of 5.6 indicates that NCI60_019587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_019587. Following Lipinski's Rule of Five, NCI60_019587 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_019587?
The CAS number of NCI60_019587 is 6291-98-1.
What is the molecular formula of NCI60_019587?
The molecular formula of NCI60_019587 is C30H37NO4.
What is the molecular weight of NCI60_019587?
The molecular weight of NCI60_019587 is 475.27 g/mol.
Where can I buy NCI60_019587?
You can request a quote for NCI60_019587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_019587?
Yes, KEHONG BIO provides custom synthesis services for NCI60_019587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.