BAS 00836329
TL;DR: BAS 00836329 (CAS 85930-55-8) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
Also Known As: BAS 00836329, AB00686067-01, F1443-5242, (E)-ethyl 4-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoate, ETHYL (2E)-3-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROP-2-ENOATE
Technical Specifications
| Molecular Formula | C15H18N2O4S |
| Molecular Weight | 322.09872 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09872 Da |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
| SMILES | CCOC(=O)/C=C/C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N |
| InChIKey | LENCPSRBOOTWPH-BQYQJAHWSA-N |
Chemical Property Profile of BAS 00836329
Property Insights of BAS 00836329
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836329. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836329. Following Lipinski's Rule of Five, BAS 00836329 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00836329?
The CAS number of BAS 00836329 is 85930-55-8.
What is the molecular formula of BAS 00836329?
The molecular formula of BAS 00836329 is C15H18N2O4S.
What is the molecular weight of BAS 00836329?
The molecular weight of BAS 00836329 is 322.09872 g/mol.
Where can I buy BAS 00836329?
You can request a quote for BAS 00836329 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00836329?
Yes, CoreyChem provides custom synthesis services for BAS 00836329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.