BAS 08302896
TL;DR: BAS 08302896 (CAS 514799-92-9) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 08302896, ethyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(1-ethyl-1H-pyrazole-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(1-ETHYL-1H-PYRAZOLE-3-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 3.2723 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 763.219 |
Chemical Identifiers
| CAS Number | 514799-92-9 |
|---|---|
| SMILES | CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
Product Overview
BAS 08302896 (CAS 514799-92-9), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: ethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 08302896
Property Insights of BAS 08302896
The XLogP value of 3.2723 indicates that BAS 08302896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08302896. Following Lipinski's Rule of Five, BAS 08302896 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 08302896?
The CAS number of BAS 08302896 is 514799-92-9.
What is the molecular formula of BAS 08302896?
The molecular formula of BAS 08302896 is C17H21N3O3S.
What is the molecular weight of BAS 08302896?
The molecular weight of BAS 08302896 is 347.13 g/mol.
Where can I buy BAS 08302896?
You can request a quote for BAS 08302896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08302896?
Yes, KEHONG BIO provides custom synthesis services for BAS 08302896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.