![(3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide structure](/static/products/635/63595-54-0.png)
(3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide
TL;DR: (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide (CAS 63595-54-0) is a chemical compound with molecular formula C19H40N8S2 and molecular weight 444.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-3-[(E)-[(2E)-2-[2-(diethylamino)ethylcarbamothioylhydrazinylidene]pentan-3-ylidene]amino]thiourea
Also Known As: (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide, Hydrazinecarbothioamide,2'-(1-ethyl-2-methyl-1,2-ethanediylidene)bis[N-[2-(diethylamino)ethyl]-, dihydrochloride
| Molecular Formula | C19H40N8S2 |
|---|---|
| Molecular Weight | 444.28 g/mol |
| LogP | 1.7401 |
| Topological Polar Surface Area | 79.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 444.28174 |
| Heavy Atoms | 29 |
| Complexity | 528.3022 |
Chemical Identifiers
| CAS Number | 63595-54-0 |
|---|---|
| SMILES | CC/C(=N\NC(=S)NCCN(CC)CC)/C(=N/NC(=S)NCCN(CC)CC)/C |
Product Overview
(3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide (CAS 63595-54-0), with molecular formula C19H40N8S2 and molecular weight 444.28 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-3-[(E)-[(2E)-2-[2-(diethylamino)ethylcarbamothioylhydrazinylidene]pentan-3-ylidene]amino]thiourea.
Chemical Property Profile of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide
Property Insights of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide
The XLogP value of 1.7401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide. The TPSA of 79.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide. Following Lipinski's Rule of Five, (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide has 4 hydrogen bond donor(s) and 6 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 (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide?
The CAS number of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide is 63595-54-0.
What is the molecular formula of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide?
The molecular formula of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide is C19H40N8S2.
What is the molecular weight of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide?
The molecular weight of (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide is 444.28 g/mol.
Where can I buy (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide?
You can request a quote for (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide?
Yes, KEHONG BIO provides custom synthesis services for (3E,5E)-N-[2-(Diethylamino)ethyl]-4,12-diethyl-5-methyl-8-sulfanylidene-2,3,6,7,9,12-hexaazatetradeca-3,5-diene-1-thioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.