AB00105318-01
TL;DR: AB00105318-01 (CAS 374548-33-1) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00105318-01, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, AJ-030/12105177, 5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-5-(3-(furan-2-yl)allylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.4345 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 561.0393 |
Chemical Identifiers
| CAS Number | 374548-33-1 |
|---|---|
| SMILES | CN1C(=O)C(=C/C=C/C2=CC=CO2)C(=O)N(C1=S)C |
Product Overview
AB00105318-01 (CAS 374548-33-1), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00105318-01
Property Insights of AB00105318-01
The XLogP value of 1.4345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105318-01. With a topological polar surface area (TPSA) of 53.76 Ų, AB00105318-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00105318-01 has 0 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 AB00105318-01?
The CAS number of AB00105318-01 is 374548-33-1.
What is the molecular formula of AB00105318-01?
The molecular formula of AB00105318-01 is C13H12N2O3S.
What is the molecular weight of AB00105318-01?
The molecular weight of AB00105318-01 is 276.06 g/mol.
Where can I buy AB00105318-01?
You can request a quote for AB00105318-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105318-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105318-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.