ChemDiv2_004121
TL;DR: ChemDiv2_004121 (CAS 407585-01-7) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
Also Known As: ChemDiv2_004121, BAS 03715985, IDI1_002836, AP-064/15228181, N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.9804 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 870.4743 |
Chemical Identifiers
| CAS Number | 407585-01-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCCC3)NC(=O)C4=CC=CO4 |
Product Overview
ChemDiv2_004121 (CAS 407585-01-7), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv2_004121
Property Insights of ChemDiv2_004121
The XLogP value of 4.9804 indicates that ChemDiv2_004121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004121. Following Lipinski's Rule of Five, ChemDiv2_004121 has 1 hydrogen bond donor(s) and 4 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 ChemDiv2_004121?
The CAS number of ChemDiv2_004121 is 407585-01-7.
What is the molecular formula of ChemDiv2_004121?
The molecular formula of ChemDiv2_004121 is C22H28N2O3S.
What is the molecular weight of ChemDiv2_004121?
The molecular weight of ChemDiv2_004121 is 400.18 g/mol.
Where can I buy ChemDiv2_004121?
You can request a quote for ChemDiv2_004121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004121?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.