BAS 01051682
TL;DR: BAS 01051682 (CAS 499987-46-1) is a chemical compound with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 01051682, NCI60_015739, F3324-0165, 5-[(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C12H7N3O6S |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 0.2378 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.00555 |
| Heavy Atoms | 22 |
| Complexity | 750.37024 |
Chemical Identifiers
| CAS Number | 499987-46-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-] |
Product Overview
BAS 01051682 (CAS 499987-46-1), with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol. IUPAC: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 01051682
Property Insights of BAS 01051682
The XLogP value of 0.2378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01051682. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01051682. Following Lipinski's Rule of Five, BAS 01051682 has 2 hydrogen bond donor(s) and 7 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 BAS 01051682?
The CAS number of BAS 01051682 is 499987-46-1.
What is the molecular formula of BAS 01051682?
The molecular formula of BAS 01051682 is C12H7N3O6S.
What is the molecular weight of BAS 01051682?
The molecular weight of BAS 01051682 is 321.01 g/mol.
Where can I buy BAS 01051682?
You can request a quote for BAS 01051682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01051682?
Yes, KEHONG BIO provides custom synthesis services for BAS 01051682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.