AB00101693-01
TL;DR: AB00101693-01 (CAS 347394-76-7) is a chemical compound with molecular formula C16H15N3O6S and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00101693-01, (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H15N3O6S |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 1.5118 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.06815 |
| Heavy Atoms | 26 |
| Complexity | 848.632 |
Chemical Identifiers
| CAS Number | 347394-76-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)NC(=S)N(C2=O)CC=C |
Product Overview
AB00101693-01 (CAS 347394-76-7), with molecular formula C16H15N3O6S and molecular weight 377.07 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00101693-01
Property Insights of AB00101693-01
The XLogP value of 1.5118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101693-01. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101693-01. Following Lipinski's Rule of Five, AB00101693-01 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 AB00101693-01?
The CAS number of AB00101693-01 is 347394-76-7.
What is the molecular formula of AB00101693-01?
The molecular formula of AB00101693-01 is C16H15N3O6S.
What is the molecular weight of AB00101693-01?
The molecular weight of AB00101693-01 is 377.07 g/mol.
Where can I buy AB00101693-01?
You can request a quote for AB00101693-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101693-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101693-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.