BIM-0028579.P001
TL;DR: BIM-0028579.P001 (CAS 329049-97-0) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
Also Known As: BIM-0028579.P001, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide, N-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-METHYL-3-FURAMIDE, N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(2-methyl(3-furyl ))carboxamide
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.8983 |
| Topological Polar Surface Area | 66.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 736.0313 |
Chemical Identifiers
| CAS Number | 329049-97-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(OC=C3)C |
Product Overview
BIM-0028579.P001 (CAS 329049-97-0), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide.
Chemical Property Profile of BIM-0028579.P001
Property Insights of BIM-0028579.P001
The XLogP value of 3.8983 indicates that BIM-0028579.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0028579.P001. Following Lipinski's Rule of Five, BIM-0028579.P001 has 1 hydrogen bond donor(s) and 4 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 BIM-0028579.P001?
The CAS number of BIM-0028579.P001 is 329049-97-0.
What is the molecular formula of BIM-0028579.P001?
The molecular formula of BIM-0028579.P001 is C16H16N2O2S.
What is the molecular weight of BIM-0028579.P001?
The molecular weight of BIM-0028579.P001 is 300.09 g/mol.
Where can I buy BIM-0028579.P001?
You can request a quote for BIM-0028579.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0028579.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0028579.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.