BIM-0045897.P001
TL;DR: BIM-0045897.P001 (CAS 302806-46-8) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0045897.P001, ethyl 6-methyl-2-[(pyridin-4-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(isonicotinamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(isonicotinoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.6969 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 755.1244 |
Chemical Identifiers
| CAS Number | 302806-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=NC=C3 |
Product Overview
BIM-0045897.P001 (CAS 302806-46-8), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: ethyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0045897.P001
Property Insights of BIM-0045897.P001
The XLogP value of 3.6969 indicates that BIM-0045897.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045897.P001. Following Lipinski's Rule of Five, BIM-0045897.P001 has 1 hydrogen bond donor(s) and 5 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-0045897.P001?
The CAS number of BIM-0045897.P001 is 302806-46-8.
What is the molecular formula of BIM-0045897.P001?
The molecular formula of BIM-0045897.P001 is C18H20N2O3S.
What is the molecular weight of BIM-0045897.P001?
The molecular weight of BIM-0045897.P001 is 344.12 g/mol.
Where can I buy BIM-0045897.P001?
You can request a quote for BIM-0045897.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045897.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045897.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.