ChemDiv3_004450
TL;DR: ChemDiv3_004450 (CAS 618404-39-0) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,5-dimethyl-3-[pyridin-3-yl(pyrrolidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
Also Known As: ChemDiv3_004450, IDI1_022360, BRD-A36157940-001-01-4, N-[4,5-dimethyl-3-[pyridin-3-yl(pyrrolidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide, N-[4,5-dimethyl-3-[3-pyridyl(pyrrolidino)methyl]-2-thienyl]-2-furamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.79044 |
| Topological Polar Surface Area | 58.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 912.56714 |
Chemical Identifiers
| CAS Number | 618404-39-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(C2=CN=CC=C2)N3CCCC3)NC(=O)C4=CC=CO4)C |
Product Overview
ChemDiv3_004450 (CAS 618404-39-0), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-[4,5-dimethyl-3-[pyridin-3-yl(pyrrolidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv3_004450
Property Insights of ChemDiv3_004450
The XLogP value of 4.79044 indicates that ChemDiv3_004450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.37 Ų, ChemDiv3_004450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004450 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 ChemDiv3_004450?
The CAS number of ChemDiv3_004450 is 618404-39-0.
What is the molecular formula of ChemDiv3_004450?
The molecular formula of ChemDiv3_004450 is C21H23N3O2S.
What is the molecular weight of ChemDiv3_004450?
The molecular weight of ChemDiv3_004450 is 381.15 g/mol.
Where can I buy ChemDiv3_004450?
You can request a quote for ChemDiv3_004450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004450?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.