Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate
TL;DR: Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate (CAS 886360-82-3) is a chemical compound with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-formyl-2-(methylamino)thiophene-3-carboxylate
Also Known As: ETHYL 4-CHLORO-5-FORMYL-2-(METHYLAMINO)-3-THIOPHENECARBOXYLATE, ethyl 4-chloro-5-formyl-2-(methylamino)thiophene-3-carboxylate
| Molecular Formula | C9H10ClNO3S |
|---|---|
| Molecular Weight | 247.01 g/mol |
| LogP | 2.4324 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.00699 |
| Heavy Atoms | 15 |
| Complexity | 388.9543 |
Chemical Identifiers
| CAS Number | 886360-82-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1Cl)C=O)NC |
Product Overview
Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate (CAS 886360-82-3), with molecular formula C9H10ClNO3S and molecular weight 247.01 g/mol. IUPAC: ethyl 4-chloro-5-formyl-2-(methylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate
Property Insights of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate
The XLogP value of 2.4324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 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 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate?
The CAS number of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate is 886360-82-3.
What is the molecular formula of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate is C9H10ClNO3S.
What is the molecular weight of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate is 247.01 g/mol.
Where can I buy Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-5-formyl-2-(methylamino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.