NCI60_037913
TL;DR: NCI60_037913 (CAS 736901-23-8) is a chemical compound with molecular formula C20H17N2O2S+ and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide
Also Known As: NCI60_037913, 2,3-Dihydro-2-methyl-1-[2-[(methylamino)carbonyl]phenyl]-3-oxonaphtho[1,8-de]-1,2-thiazinium, 1-[2-(N-Methylcarbamoyl)phenyl]-2-methyl-3-oxo-2,3-dihydronaphtho[1,8-de]-1,2-thiazin-1-ium, 2-Methyl-1-[2-(methylcarbamoyl)phenyl]-3-oxo-2,3-dihydronaphtho[1,8-de][1,2]thiazin-1-ium
| Molecular Formula | C20H17N2O2S+ |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.10107 |
| Heavy Atoms | 25 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 736901-23-8 |
|---|---|
| SMILES | CNC(=O)C1=CC=CC=C1[S+]2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C |
| InChIKey | XUQZYRBHLZJEBR-UHFFFAOYSA-O |
Product Overview
NCI60_037913 (CAS 736901-23-8), with molecular formula C20H17N2O2S+ and molecular weight 349.10 g/mol. IUPAC: N-methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide.
Chemical Property Profile of NCI60_037913
Property Insights of NCI60_037913
The XLogP value of 4.0 indicates that NCI60_037913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, NCI60_037913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_037913 has 1 hydrogen bond donor(s) and 2 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_037913?
The CAS number of NCI60_037913 is 736901-23-8.
What is the molecular formula of NCI60_037913?
The molecular formula of NCI60_037913 is C20H17N2O2S+.
What is the molecular weight of NCI60_037913?
The molecular weight of NCI60_037913 is 349.10 g/mol.
Where can I buy NCI60_037913?
You can request a quote for NCI60_037913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037913?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.