ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate (CAS 356586-72-6) is a chemical compound with molecular formula C17H20ClNO4S and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate, 7-chloro-6-formyl-2-(valerylamino)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester, ethyl 7-chloranyl-6-methanoyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate, ethyl 7-chloro-6-formyl-2-pentanamido-4,5-dihydrobenzo[b]thiophene-3-carboxylate, 7-chloro-6-formyl-2-(1-oxopentylamino)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C17H20ClNO4S |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 4.1485 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.08017 |
| Heavy Atoms | 24 |
| Complexity | 693.0078 |
Chemical Identifiers
| CAS Number | 356586-72-6 |
|---|---|
| SMILES | CCCCC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)OCC |
Product Overview
ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate (CAS 356586-72-6), with molecular formula C17H20ClNO4S and molecular weight 369.08 g/mol. IUPAC: ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.1485 indicates that ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate 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 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate is 356586-72-6.
What is the molecular formula of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate is C17H20ClNO4S.
What is the molecular weight of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate is 369.08 g/mol.
Where can I buy ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-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 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.