![ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/118/118005-53-1.png)
ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 118005-53-1) is a chemical compound with molecular formula C16H22ClNO4S and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-[(2-chlorobutanoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C16H22ClNO4S |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.732 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0958 |
| Heavy Atoms | 23 |
| Complexity | 611.46655 |
Chemical Identifiers
| CAS Number | 118005-53-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC)Cl |
Product Overview
ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CAS 118005-53-1), with molecular formula C16H22ClNO4S and molecular weight 359.10 g/mol. IUPAC: ethyl 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 3.732 indicates that ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-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 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 118005-53-1.
What is the molecular formula of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is C16H22ClNO4S.
What is the molecular weight of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is 359.10 g/mol.
Where can I buy ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-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-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-chlorobutanamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.