NCIOpen2_009665
TL;DR: NCIOpen2_009665 (CAS 60045-59-2) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: NCIOpen2_009665, BAS 00393656, 5-(4-(Diethylamino)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, A0840/0039410, 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 60045-59-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O |
| InChIKey | UWGKOXLKMHPSTG-UHFFFAOYSA-N |
Product Overview
NCIOpen2_009665 (CAS 60045-59-2), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of NCIOpen2_009665
Property Insights of NCIOpen2_009665
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_009665. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_009665. Following Lipinski's Rule of Five, NCIOpen2_009665 has 2 hydrogen bond donor(s) and 4 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 NCIOpen2_009665?
The CAS number of NCIOpen2_009665 is 60045-59-2.
What is the molecular formula of NCIOpen2_009665?
The molecular formula of NCIOpen2_009665 is C15H17N3O2S.
What is the molecular weight of NCIOpen2_009665?
The molecular weight of NCIOpen2_009665 is 303.10 g/mol.
Where can I buy NCIOpen2_009665?
You can request a quote for NCIOpen2_009665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_009665?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_009665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.