A2030/0085250
TL;DR: A2030/0085250 (CAS 296891-66-2) is a chemical compound with molecular formula C17H22F3N3O5S and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: A2030/0085250, ethyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate, ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate, ethyl 2-[(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]-2-(ethox ycarbonylamino)-3,3,3-trifluoropropanoate, ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-2-[(ETHOXYCARBONYL)AMINO]-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C17H22F3N3O5S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 437.12323 |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 296891-66-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)OCC |
| InChIKey | HNZGOVROJXXBJZ-UHFFFAOYSA-N |
Product Overview
A2030/0085250 (CAS 296891-66-2), with molecular formula C17H22F3N3O5S and molecular weight 437.12 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of A2030/0085250
Property Insights of A2030/0085250
The XLogP value of 4.0 indicates that A2030/0085250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting A2030/0085250 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2030/0085250 has 3 hydrogen bond donor(s) and 10 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 A2030/0085250?
The CAS number of A2030/0085250 is 296891-66-2.
What is the molecular formula of A2030/0085250?
The molecular formula of A2030/0085250 is C17H22F3N3O5S.
What is the molecular weight of A2030/0085250?
The molecular weight of A2030/0085250 is 437.12 g/mol.
Where can I buy A2030/0085250?
You can request a quote for A2030/0085250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2030/0085250?
Yes, KEHONG BIO provides custom synthesis services for A2030/0085250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.