BIM-0017036.P001
TL;DR: BIM-0017036.P001 (CAS 5701-86-0) is a chemical compound with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0017036.P001, ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxylate, ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 4.6175 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 924.71606 |
Chemical Identifiers
| CAS Number | 5701-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
BIM-0017036.P001 (CAS 5701-86-0), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0017036.P001
Property Insights of BIM-0017036.P001
The XLogP value of 4.6175 indicates that BIM-0017036.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017036.P001. Following Lipinski's Rule of Five, BIM-0017036.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-0017036.P001?
The CAS number of BIM-0017036.P001 is 5701-86-0.
What is the molecular formula of BIM-0017036.P001?
The molecular formula of BIM-0017036.P001 is C18H17ClN2O5S.
What is the molecular weight of BIM-0017036.P001?
The molecular weight of BIM-0017036.P001 is 408.05 g/mol.
Where can I buy BIM-0017036.P001?
You can request a quote for BIM-0017036.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017036.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017036.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.