BAS 00414543
TL;DR: BAS 00414543 (CAS 1346414-21-8) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00414543, 2-[(E)-[(4-chlorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-{[(E)-(4-chlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(4-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(((e)-(4-Chlorophenyl)methylidene)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H13ClN2S |
| Molecular Weight | 300.0488 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)Cl)C#N |
| InChIKey | DQFRPCIKEBFXCY-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00414543
Property Insights of BAS 00414543
The XLogP value of 4.8 indicates that BAS 00414543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414543. Following Lipinski's Rule of Five, BAS 00414543 has 0 hydrogen bond donor(s) and 3 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 00414543?
The CAS number of BAS 00414543 is 1346414-21-8.
What is the molecular formula of BAS 00414543?
The molecular formula of BAS 00414543 is C16H13ClN2S.
What is the molecular weight of BAS 00414543?
The molecular weight of BAS 00414543 is 300.0488 g/mol.
Where can I buy BAS 00414543?
You can request a quote for BAS 00414543 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00414543?
Yes, CoreyChem provides custom synthesis services for BAS 00414543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.