RefChem:1057054
TL;DR: RefChem:1057054 (CAS 35807-40-0) is a chemical compound with molecular formula C16H20ClN3O2 and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide;hydrochloride
Also Known As: 1-Pyrrolidineacetic acid, ((2-methyl-3-benzofuranyl)methylene)hydrazide, monohydrochloride, ((2-Methyl-3-benzofuranyl)methylene)hydrazide 1-pyrrolidineacetic acid hydrochloride, RefChem:1057054
| Molecular Formula | C16H20ClN3O2 |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 2.70892 |
| Topological Polar Surface Area | 57.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1244 |
| Heavy Atoms | 22 |
| Complexity | 675.0808 |
Chemical Identifiers
| CAS Number | 35807-40-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2O1)/C=N/NC(=O)CN3CCCC3.Cl |
Product Overview
RefChem:1057054 (CAS 35807-40-0), with molecular formula C16H20ClN3O2 and molecular weight 321.12 g/mol. IUPAC: N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide;hydrochloride.
Chemical Property Profile of RefChem:1057054
Property Insights of RefChem:1057054
The XLogP value of 2.70892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057054. With a topological polar surface area (TPSA) of 57.84 Ų, RefChem:1057054 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057054 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 RefChem:1057054?
The CAS number of RefChem:1057054 is 35807-40-0.
What is the molecular formula of RefChem:1057054?
The molecular formula of RefChem:1057054 is C16H20ClN3O2.
What is the molecular weight of RefChem:1057054?
The molecular weight of RefChem:1057054 is 321.12 g/mol.
Where can I buy RefChem:1057054?
You can request a quote for RefChem:1057054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.