BAS 05914754
TL;DR: BAS 05914754 (CAS 154201-52-2) is a chemical compound with molecular formula C17H26N2O3S and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(diethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 05914754, ethyl 2-[(N,N-diethylglycyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F0016-0150, ethyl 2-(2-(diethylamino)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(diethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H26N2O3S |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.1664 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 154201-52-2 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC |
| InChIKey | OEIPEAYCWZWQGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 05914754 (CAS 154201-52-2), with molecular formula C17H26N2O3S and molecular weight 338.17 g/mol. IUPAC: ethyl 2-[[2-(diethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 05914754
Property Insights of BAS 05914754
The XLogP value of 3.9 indicates that BAS 05914754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914754. Following Lipinski's Rule of Five, BAS 05914754 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 BAS 05914754?
The CAS number of BAS 05914754 is 154201-52-2.
What is the molecular formula of BAS 05914754?
The molecular formula of BAS 05914754 is C17H26N2O3S.
What is the molecular weight of BAS 05914754?
The molecular weight of BAS 05914754 is 338.17 g/mol.
Where can I buy BAS 05914754?
You can request a quote for BAS 05914754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914754?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.