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Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate (CAS 304685-95-8) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(dimethylaminomethylideneamino)-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate, ethyl 2-[[(dimethylamino)methylidene]amino]-4-phenylthiophene-3-carboxylate, ethyl 2-(dimethylaminomethylideneamino)-4-phenylthiophene-3-carboxylate, ETHYL 2-(((DIMETHYLAMINO)METHYLENE)AMINO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 3.8132 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 632.98145 |
Chemical Identifiers
| CAS Number | 304685-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N=CN(C)C |
Product Overview
Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate (CAS 304685-95-8), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: ethyl 2-(dimethylaminomethylideneamino)-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate
The XLogP value of 3.8132 indicates that Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate has 0 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 Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate is 304685-95-8.
What is the molecular formula of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate is C16H18N2O2S.
What is the molecular weight of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate is 302.11 g/mol.
Where can I buy Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(dimethylamino)methylidene]amino}-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.