BIM-0042639.P001
TL;DR: BIM-0042639.P001 (CAS 312622-57-4) is a chemical compound with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
Also Known As: BIM-0042639.P001, ETHYL 5-[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]-4-METHYL-2-(THIOPHENE-2-AMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate, ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-[(thiophen-2-ylcarbonyl)amino]thiophene-3-carboxylate, ethyl 5-(benzo[d][1,3]dioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carboxamido)thiophene-3-carboxylate
| Molecular Formula | C21H18N2O6S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 4.52802 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.06064 |
| Heavy Atoms | 31 |
| Complexity | 1153.0841 |
Chemical Identifiers
| CAS Number | 312622-57-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4 |
Product Overview
BIM-0042639.P001 (CAS 312622-57-4), with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of BIM-0042639.P001
Property Insights of BIM-0042639.P001
The XLogP value of 4.52802 indicates that BIM-0042639.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042639.P001. Following Lipinski's Rule of Five, BIM-0042639.P001 has 2 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 BIM-0042639.P001?
The CAS number of BIM-0042639.P001 is 312622-57-4.
What is the molecular formula of BIM-0042639.P001?
The molecular formula of BIM-0042639.P001 is C21H18N2O6S2.
What is the molecular weight of BIM-0042639.P001?
The molecular weight of BIM-0042639.P001 is 458.06 g/mol.
Where can I buy BIM-0042639.P001?
You can request a quote for BIM-0042639.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042639.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042639.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.