BAS 00464589
TL;DR: BAS 00464589 (CAS 1340483-67-1) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: BAS 00464589, 2-[(1,3-benzodioxol-5-ylmethylene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, (E)-2-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)-4,5,6,7-tetrahydroben zo[b]thiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C17H14N2O2S |
| Molecular Weight | 310.0776 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0776 Da |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC4=C(C=C3)OCO4)C#N |
| InChIKey | OIHPEQANXPYMFN-DJKKODMXSA-N |
Chemical Property Profile of BAS 00464589
Property Insights of BAS 00464589
The XLogP value of 4.0 indicates that BAS 00464589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00464589. Following Lipinski's Rule of Five, BAS 00464589 has 0 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 00464589?
The CAS number of BAS 00464589 is 1340483-67-1.
What is the molecular formula of BAS 00464589?
The molecular formula of BAS 00464589 is C17H14N2O2S.
What is the molecular weight of BAS 00464589?
The molecular weight of BAS 00464589 is 310.0776 g/mol.
Where can I buy BAS 00464589?
You can request a quote for BAS 00464589 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00464589?
Yes, CoreyChem provides custom synthesis services for BAS 00464589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.