NCI60_020558
TL;DR: NCI60_020558 (CAS 149130-56-3) is a chemical compound with molecular formula C10H8N2O2S4 and molecular weight 315.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4H-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione
Also Known As: NCI60_020558, 2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4H-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione, 2-(4,5-dimethyl-2H-1,3-dithiol-2-ylidene)-2H,4H,5H,6H,7H-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione
| Molecular Formula | C10H8N2O2S4 |
|---|---|
| Molecular Weight | 315.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.94687 |
| Heavy Atoms | 18 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 149130-56-3 |
|---|---|
| SMILES | CC1=C(SC(=C2SC3=C(S2)NC(=O)NC3=O)S1)C |
| InChIKey | HEGJLDDPEVAORA-UHFFFAOYSA-N |
Product Overview
NCI60_020558 (CAS 149130-56-3), with molecular formula C10H8N2O2S4 and molecular weight 315.95 g/mol. IUPAC: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4H-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of NCI60_020558
Property Insights of NCI60_020558
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_020558. The TPSA of 159.0 Ų indicates high polarity, suggesting NCI60_020558 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_020558 has 2 hydrogen bond donor(s) and 6 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_020558?
The CAS number of NCI60_020558 is 149130-56-3.
What is the molecular formula of NCI60_020558?
The molecular formula of NCI60_020558 is C10H8N2O2S4.
What is the molecular weight of NCI60_020558?
The molecular weight of NCI60_020558 is 315.95 g/mol.
Where can I buy NCI60_020558?
You can request a quote for NCI60_020558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020558?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.