AB00098008-01
TL;DR: AB00098008-01 (CAS 5810-48-0) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00098008-01, (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[3-(2-furyl)-2-propen-1-ylidene]-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-[(2E)-3-(FURAN-2-YL)PROP-2-EN-1-YLIDENE]-1-(3-METHYLPHENYL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.97552 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 866.14886 |
Chemical Identifiers
| CAS Number | 5810-48-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C=C/C3=CC=CO3)/C(=O)NC2=S |
Product Overview
AB00098008-01 (CAS 5810-48-0), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00098008-01
Property Insights of AB00098008-01
The XLogP value of 2.97552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00098008-01. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098008-01. Following Lipinski's Rule of Five, AB00098008-01 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 AB00098008-01?
The CAS number of AB00098008-01 is 5810-48-0.
What is the molecular formula of AB00098008-01?
The molecular formula of AB00098008-01 is C18H14N2O3S.
What is the molecular weight of AB00098008-01?
The molecular weight of AB00098008-01 is 338.07 g/mol.
Where can I buy AB00098008-01?
You can request a quote for AB00098008-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098008-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098008-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.