ChemDiv1_005509
TL;DR: ChemDiv1_005509 (CAS 351157-58-9) is a chemical compound with molecular formula C22H15ClFNO3S2 and molecular weight 459.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: ChemDiv1_005509, BIM-0046698.P001, ethyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate, ethyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate, ethyl 2-[(3-chloro-6-fluorobenzo[b]thiophen-2-yl)carbonylamino]-4-phenylthioph ene-3-carboxylate
| Molecular Formula | C22H15ClFNO3S2 |
|---|---|
| Molecular Weight | 459.02 g/mol |
| LogP | 6.8513 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0166 |
| Heavy Atoms | 30 |
| Complexity | 1250.2466 |
Chemical Identifiers
| CAS Number | 351157-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl |
Product Overview
ChemDiv1_005509 (CAS 351157-58-9), with molecular formula C22H15ClFNO3S2 and molecular weight 459.02 g/mol. IUPAC: ethyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005509
Property Insights of ChemDiv1_005509
The XLogP value of 6.8513 indicates that ChemDiv1_005509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ChemDiv1_005509 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005509 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005509?
The CAS number of ChemDiv1_005509 is 351157-58-9.
What is the molecular formula of ChemDiv1_005509?
The molecular formula of ChemDiv1_005509 is C22H15ClFNO3S2.
What is the molecular weight of ChemDiv1_005509?
The molecular weight of ChemDiv1_005509 is 459.02 g/mol.
Where can I buy ChemDiv1_005509?
You can request a quote for ChemDiv1_005509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005509?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.