BAS 00398084
TL;DR: BAS 00398084 (CAS 345950-85-8) is a chemical compound with molecular formula C15H14N6O5S and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
Also Known As: BAS 00398084, BIM-0027464.P001, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(5-methyl-3,4-dinitropy razolyl)acetamide
| Molecular Formula | C15H14N6O5S |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.4586 |
| Topological Polar Surface Area | 156.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.07465 |
| Heavy Atoms | 27 |
| Complexity | 1001.48535 |
Chemical Identifiers
| CAS Number | 345950-85-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
BAS 00398084 (CAS 345950-85-8), with molecular formula C15H14N6O5S and molecular weight 390.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
Chemical Property Profile of BAS 00398084
Property Insights of BAS 00398084
The XLogP value of 2.4586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00398084. The TPSA of 156.99 Ų indicates high polarity, suggesting BAS 00398084 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00398084 has 1 hydrogen bond donor(s) and 8 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 00398084?
The CAS number of BAS 00398084 is 345950-85-8.
What is the molecular formula of BAS 00398084?
The molecular formula of BAS 00398084 is C15H14N6O5S.
What is the molecular weight of BAS 00398084?
The molecular weight of BAS 00398084 is 390.07 g/mol.
Where can I buy BAS 00398084?
You can request a quote for BAS 00398084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398084?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.