AB00682930-01
TL;DR: AB00682930-01 (CAS 260446-88-6) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-N-methylanilino]propanenitrile
Also Known As: AB00682930-01, F3116-0227, 3-[4-[(4,6-dioxo-2-thioxohexahydropyrimidin-5-yliden)methyl](methyl)anilino]propanenitrile, 3-((4-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenyl)(methyl)amino)propanenitrile, 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-N-methylanilino]propanenitrile
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 0.95078 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 666.48914 |
Chemical Identifiers
| CAS Number | 260446-88-6 |
|---|---|
| SMILES | CN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O |
Product Overview
AB00682930-01 (CAS 260446-88-6), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-N-methylanilino]propanenitrile.
Chemical Property Profile of AB00682930-01
Property Insights of AB00682930-01
The XLogP value of 0.95078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00682930-01. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682930-01. Following Lipinski's Rule of Five, AB00682930-01 has 2 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 AB00682930-01?
The CAS number of AB00682930-01 is 260446-88-6.
What is the molecular formula of AB00682930-01?
The molecular formula of AB00682930-01 is C15H14N4O2S.
What is the molecular weight of AB00682930-01?
The molecular weight of AB00682930-01 is 314.08 g/mol.
Where can I buy AB00682930-01?
You can request a quote for AB00682930-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682930-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682930-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.