AB00076348-01
TL;DR: AB00076348-01 (CAS 368889-52-5) is a chemical compound with molecular formula C19H14N2O4S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00076348-01, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-thioxo-1-(o-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C19H14N2O4S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 2.55502 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.0674 |
| Heavy Atoms | 26 |
| Complexity | 983.25446 |
Chemical Identifiers
| CAS Number | 368889-52-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C(=O)NC2=S |
Product Overview
AB00076348-01 (CAS 368889-52-5), with molecular formula C19H14N2O4S and molecular weight 366.07 g/mol. IUPAC: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00076348-01
Property Insights of AB00076348-01
The XLogP value of 2.55502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00076348-01. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00076348-01. Following Lipinski's Rule of Five, AB00076348-01 has 1 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 AB00076348-01?
The CAS number of AB00076348-01 is 368889-52-5.
What is the molecular formula of AB00076348-01?
The molecular formula of AB00076348-01 is C19H14N2O4S.
What is the molecular weight of AB00076348-01?
The molecular weight of AB00076348-01 is 366.07 g/mol.
Where can I buy AB00076348-01?
You can request a quote for AB00076348-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076348-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076348-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.