4F-013
TL;DR: 4F-013 (CAS 338418-49-8) is a chemical compound with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylaminomethylideneamino)-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate
Also Known As: 4F-013, ethyl 4-{[(dimethylamino)methylene]amino}-3-methylthieno[2,3-c]isothiazole-5-carboxylate, ethyl 4-(dimethylaminomethylideneamino)-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate, ethyl 4-[(E)-[(dimethylamino)methylidene]amino]-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate, ethyl 4-{[(dimethylamino)methylidene]amino}-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate
| Molecular Formula | C12H15N3O2S2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.06432 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06058 |
| Heavy Atoms | 19 |
| Complexity | 628.2306 |
Chemical Identifiers
| CAS Number | 338418-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(SN=C2S1)C)N=CN(C)C |
Product Overview
4F-013 (CAS 338418-49-8), with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol. IUPAC: ethyl 4-(dimethylaminomethylideneamino)-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate.
Chemical Property Profile of 4F-013
Property Insights of 4F-013
The XLogP value of 3.06432 indicates that 4F-013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, 4F-013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4F-013 has 0 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 4F-013?
The CAS number of 4F-013 is 338418-49-8.
What is the molecular formula of 4F-013?
The molecular formula of 4F-013 is C12H15N3O2S2.
What is the molecular weight of 4F-013?
The molecular weight of 4F-013 is 297.06 g/mol.
Where can I buy 4F-013?
You can request a quote for 4F-013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4F-013?
Yes, KEHONG BIO provides custom synthesis services for 4F-013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.