ChemDiv3_007281
TL;DR: ChemDiv3_007281 (CAS 690640-67-6) is a chemical compound with molecular formula C25H31ClN2O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-chlorophenyl)methyl]piperidine-4-carboxylate
Also Known As: ChemDiv3_007281, IDI1_025191, F1654-0254, BRD-A85550619-001-01-0, ethyl 1-((2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(3-chlorophenyl)methyl)piperidine-4-carboxylate
| Molecular Formula | C25H31ClN2O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 5.6032 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.17438 |
| Heavy Atoms | 32 |
| Complexity | 981.56177 |
Chemical Identifiers
| CAS Number | 690640-67-6 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=C(SC4=C3CCCC4)NC(=O)C |
Product Overview
ChemDiv3_007281 (CAS 690640-67-6), with molecular formula C25H31ClN2O3S and molecular weight 474.17 g/mol. IUPAC: ethyl 1-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-chlorophenyl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of ChemDiv3_007281
Property Insights of ChemDiv3_007281
The XLogP value of 5.6032 indicates that ChemDiv3_007281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv3_007281 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007281 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 ChemDiv3_007281?
The CAS number of ChemDiv3_007281 is 690640-67-6.
What is the molecular formula of ChemDiv3_007281?
The molecular formula of ChemDiv3_007281 is C25H31ClN2O3S.
What is the molecular weight of ChemDiv3_007281?
The molecular weight of ChemDiv3_007281 is 474.17 g/mol.
Where can I buy ChemDiv3_007281?
You can request a quote for ChemDiv3_007281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007281?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.