NCI60_021120
TL;DR: NCI60_021120 (CAS 52547-08-7) is a chemical compound with molecular formula C16H24S2+2 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium
Also Known As: NCI60_021120, 1,1 -(p-Xylylene)bis(tetrahydrothiophene-1-ium), 1,1 -(p-Phenylenebismethylene)bis(thiolane-1-ium), 1,4-Bis(tetrahydrothiophene-1-ium-1-ylmethyl)benzene, 1-[[4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium
| Molecular Formula | C16H24S2+2 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.13196 |
| Heavy Atoms | 18 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 52547-08-7 |
|---|---|
| SMILES | C1CC[S+](C1)CC2=CC=C(C=C2)C[S+]3CCCC3 |
| InChIKey | WMQVVIMZECUMEN-UHFFFAOYSA-N |
Product Overview
NCI60_021120 (CAS 52547-08-7), with molecular formula C16H24S2+2 and molecular weight 280.13 g/mol. IUPAC: 1-[[4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium.
Chemical Property Profile of NCI60_021120
Property Insights of NCI60_021120
The XLogP value of 3.8 indicates that NCI60_021120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, NCI60_021120 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_021120 has 0 hydrogen bond donor(s) and 0 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_021120?
The CAS number of NCI60_021120 is 52547-08-7.
What is the molecular formula of NCI60_021120?
The molecular formula of NCI60_021120 is C16H24S2+2.
What is the molecular weight of NCI60_021120?
The molecular weight of NCI60_021120 is 280.13 g/mol.
Where can I buy NCI60_021120?
You can request a quote for NCI60_021120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_021120?
Yes, KEHONG BIO provides custom synthesis services for NCI60_021120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.