![1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene structure](/static/products/7543/75438-42-5.webp)
1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene
TL;DR: 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene (CAS 75438-42-5) is a chemical compound with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine
Also Known As: 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene
| Molecular Formula | C15H22N4O3S |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.14127 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 75438-42-5 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCC#C |
| InChIKey | SMOHSULBMKXDEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene (CAS 75438-42-5), with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol. IUPAC: 1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine.
Chemical Property Profile of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene
Property Insights of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene. Following Lipinski's Rule of Five, 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene has 2 hydrogen bond donor(s) and 7 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 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene?
The CAS number of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene is 75438-42-5.
What is the molecular formula of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene?
The molecular formula of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene is C15H22N4O3S.
What is the molecular weight of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene?
The molecular weight of 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene is 338.14 g/mol.
Where can I buy 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene?
You can request a quote for 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-(2-propynylamino)-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.