AB00093254-01
TL;DR: AB00093254-01 (CAS 340213-60-7) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00093254-01, (5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(4-Chlorophenyl)-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C15H9ClN2O3S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 2.7643 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00223 |
| Heavy Atoms | 22 |
| Complexity | 781.6287 |
Chemical Identifiers
| CAS Number | 340213-60-7 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
AB00093254-01 (CAS 340213-60-7), with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol. IUPAC: (5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00093254-01
Property Insights of AB00093254-01
The XLogP value of 2.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00093254-01. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093254-01. Following Lipinski's Rule of Five, AB00093254-01 has 1 hydrogen bond donor(s) and 4 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 AB00093254-01?
The CAS number of AB00093254-01 is 340213-60-7.
What is the molecular formula of AB00093254-01?
The molecular formula of AB00093254-01 is C15H9ClN2O3S.
What is the molecular weight of AB00093254-01?
The molecular weight of AB00093254-01 is 332.00 g/mol.
Where can I buy AB00093254-01?
You can request a quote for AB00093254-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093254-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093254-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.