J1.594.971F
TL;DR: J1.594.971F (CAS 53103-67-6) is a chemical compound with molecular formula C12H20N2S2 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[2-[[(E)-4-sulfanylidenepent-2-en-2-yl]amino]ethylamino]pent-3-ene-2-thione
Also Known As: J1.594.971F, N,N -Ethylenebis(2-mercapto-2-pentene-4-imine), N,N'-bis(1-methyl-3-thioxo-1-butenyl)-ethylenediamine, N,N -Bis(2-mercapto-2-pentene-4-ylidene)ethylenediamine, 4,4 ,4,4 -(Ethylenebisnitrilo)bis(2-pentene-2-thiol)
| Molecular Formula | C12H20N2S2 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 2.7528 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.10678 |
| Heavy Atoms | 16 |
| Complexity | 284.98044 |
Chemical Identifiers
| CAS Number | 53103-67-6 |
|---|---|
| SMILES | C/C(=C\C(=S)C)/NCCN/C(=C/C(=S)C)/C |
Product Overview
J1.594.971F (CAS 53103-67-6), with molecular formula C12H20N2S2 and molecular weight 256.11 g/mol. IUPAC: (E)-4-[2-[[(E)-4-sulfanylidenepent-2-en-2-yl]amino]ethylamino]pent-3-ene-2-thione.
Chemical Property Profile of J1.594.971F
Property Insights of J1.594.971F
The XLogP value of 2.7528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.594.971F. With a topological polar surface area (TPSA) of 24.06 Ų, J1.594.971F exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.594.971F has 2 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 J1.594.971F?
The CAS number of J1.594.971F is 53103-67-6.
What is the molecular formula of J1.594.971F?
The molecular formula of J1.594.971F is C12H20N2S2.
What is the molecular weight of J1.594.971F?
The molecular weight of J1.594.971F is 256.11 g/mol.
Where can I buy J1.594.971F?
You can request a quote for J1.594.971F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.594.971F?
Yes, KEHONG BIO provides custom synthesis services for J1.594.971F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.