BAS 00330709
TL;DR: BAS 00330709 (CAS 313238-24-3) is a chemical compound with molecular formula C13H11BrN2O4S and molecular weight 369.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00330709, 5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylene]-2-thioxo-1,3-dihydropyrimidine -4,6-dione
| Molecular Formula | C13H11BrN2O4S |
|---|---|
| Molecular Weight | 369.96 g/mol |
| LogP | 1.4677 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.96228 |
| Heavy Atoms | 21 |
| Complexity | 650.38025 |
Chemical Identifiers
| CAS Number | 313238-24-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)O |
Product Overview
BAS 00330709 (CAS 313238-24-3), with molecular formula C13H11BrN2O4S and molecular weight 369.96 g/mol. IUPAC: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00330709
Property Insights of BAS 00330709
The XLogP value of 1.4677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00330709. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00330709. Following Lipinski's Rule of Five, BAS 00330709 has 3 hydrogen bond donor(s) and 5 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 00330709?
The CAS number of BAS 00330709 is 313238-24-3.
What is the molecular formula of BAS 00330709?
The molecular formula of BAS 00330709 is C13H11BrN2O4S.
What is the molecular weight of BAS 00330709?
The molecular weight of BAS 00330709 is 369.96 g/mol.
Where can I buy BAS 00330709?
You can request a quote for BAS 00330709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00330709?
Yes, KEHONG BIO provides custom synthesis services for BAS 00330709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.