BAS 01047929
TL;DR: BAS 01047929 (CAS 353239-87-9) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 01047929, BIM-0033817.P001, AB00097466-01, (5Z)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 5-((1-ethyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 353239-87-9 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O |
| InChIKey | MXDPMCMBRZFDMJ-UHFFFAOYSA-N |
Product Overview
BAS 01047929 (CAS 353239-87-9), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 01047929
Property Insights of BAS 01047929
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01047929. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01047929. Following Lipinski's Rule of Five, BAS 01047929 has 2 hydrogen bond donor(s) and 3 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 01047929?
The CAS number of BAS 01047929 is 353239-87-9.
What is the molecular formula of BAS 01047929?
The molecular formula of BAS 01047929 is C15H13N3O2S.
What is the molecular weight of BAS 01047929?
The molecular weight of BAS 01047929 is 299.07 g/mol.
Where can I buy BAS 01047929?
You can request a quote for BAS 01047929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01047929?
Yes, KEHONG BIO provides custom synthesis services for BAS 01047929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.