NCI60_014324
TL;DR: NCI60_014324 (CAS 1892-88-2) is a chemical compound with molecular formula C33H47NO5S and molecular weight 569.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide
Also Known As: NCI60_014324, N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide, n-[1,2,3-trihydroxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexadecanamide, N-[1,2,3-Trihydroxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexadecanimidic acid
| Molecular Formula | C33H47NO5S |
|---|---|
| Molecular Weight | 569.32 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 569.3175 |
| Heavy Atoms | 40 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 1892-88-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O |
| InChIKey | FBZHXZRNIYVAEX-UHFFFAOYSA-N |
Product Overview
NCI60_014324 (CAS 1892-88-2), with molecular formula C33H47NO5S and molecular weight 569.32 g/mol. IUPAC: N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide.
Chemical Property Profile of NCI60_014324
Property Insights of NCI60_014324
The XLogP value of 8.1 indicates that NCI60_014324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_014324. Following Lipinski's Rule of Five, NCI60_014324 has 4 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_014324?
The CAS number of NCI60_014324 is 1892-88-2.
What is the molecular formula of NCI60_014324?
The molecular formula of NCI60_014324 is C33H47NO5S.
What is the molecular weight of NCI60_014324?
The molecular weight of NCI60_014324 is 569.32 g/mol.
Where can I buy NCI60_014324?
You can request a quote for NCI60_014324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_014324?
Yes, KEHONG BIO provides custom synthesis services for NCI60_014324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.