BIM-0045402.P001
TL;DR: BIM-0045402.P001 (CAS 424813-44-5) is a chemical compound with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0045402.P001, methyl 6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(2-methylbutan-2-yl)-2-[(pyrazin-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-(1,1-dimethylpropyl)-2-(pyrazin-2-ylcarbonylamino)-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxylate, METHYL 6-(2-METHYLBUTAN-2-YL)-2-(PYRAZINE-2-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H25N3O3S |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 4.1181 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.16165 |
| Heavy Atoms | 27 |
| Complexity | 845.65686 |
Chemical Identifiers
| CAS Number | 424813-44-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NC=CN=C3 |
Product Overview
BIM-0045402.P001 (CAS 424813-44-5), with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol. IUPAC: methyl 6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0045402.P001
Property Insights of BIM-0045402.P001
The XLogP value of 4.1181 indicates that BIM-0045402.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045402.P001. Following Lipinski's Rule of Five, BIM-0045402.P001 has 1 hydrogen bond donor(s) and 6 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-0045402.P001?
The CAS number of BIM-0045402.P001 is 424813-44-5.
What is the molecular formula of BIM-0045402.P001?
The molecular formula of BIM-0045402.P001 is C20H25N3O3S.
What is the molecular weight of BIM-0045402.P001?
The molecular weight of BIM-0045402.P001 is 387.16 g/mol.
Where can I buy BIM-0045402.P001?
You can request a quote for BIM-0045402.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045402.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045402.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.