CTK4I2705
TL;DR: CTK4I2705 (CAS 40236-09-7) is a chemical compound with molecular formula C13H13N5O3S2 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethylideneamino]thiourea
Also Known As: 1-(1-(4-Methyl-2-(2-(5-nitrofuryl)vinyl)-5-thiazolyl)ethylidene)-3-thiosemicarbazide, Semicarbazide, 1-(1-(4-methyl-2-(2-(5-nitrofuryl)vinyl)-5-thiazolyl)ethylidene)-3-thio-, 1-(1-(4-METHYL-2-(2-(5-NITROFURYL)VINYL)-THIAZOL-5-YL)ETHYLIDENE)-3-THIOSEMICARBAZIDE, Hydrazinecarbothioamide, 2-(1-(4-methyl-2-(5-nitro-2-furanylethenyl)-5-thiazolyl)ethylidene)-
| Molecular Formula | C13H13N5O3S2 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 2.68032 |
| Topological Polar Surface Area | 119.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.046 |
| Heavy Atoms | 23 |
| Complexity | 806.392 |
Chemical Identifiers
| CAS Number | 40236-09-7 |
|---|---|
| SMILES | CC1=C(SC(=N1)C=CC2=CC=C(O2)[N+](=O)[O-])C(=NNC(=S)N)C |
Product Overview
CTK4I2705 (CAS 40236-09-7), with molecular formula C13H13N5O3S2 and molecular weight 351.05 g/mol. IUPAC: [1-[4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethylideneamino]thiourea.
Chemical Property Profile of CTK4I2705
Property Insights of CTK4I2705
The XLogP value of 2.68032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4I2705. The TPSA of 119.58 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4I2705. Following Lipinski's Rule of Five, CTK4I2705 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 CTK4I2705?
The CAS number of CTK4I2705 is 40236-09-7.
What is the molecular formula of CTK4I2705?
The molecular formula of CTK4I2705 is C13H13N5O3S2.
What is the molecular weight of CTK4I2705?
The molecular weight of CTK4I2705 is 351.05 g/mol.
Where can I buy CTK4I2705?
You can request a quote for CTK4I2705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4I2705?
Yes, KEHONG BIO provides custom synthesis services for CTK4I2705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.