Bionet1_003181
TL;DR: Bionet1_003181 (CAS 338747-99-2) is a chemical compound with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidine
Also Known As: Bionet1_003181, 4M-535S, [2-[(4-chlorobenzyl)sulfanyl]-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl methyl ether, 2-[(4-chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidine
| Molecular Formula | C17H20ClN3OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.1689 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.10156 |
| Heavy Atoms | 23 |
| Complexity | 644.7868 |
Chemical Identifiers
| CAS Number | 338747-99-2 |
|---|---|
| SMILES | COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)N3CCCC3 |
Product Overview
Bionet1_003181 (CAS 338747-99-2), with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of Bionet1_003181
Property Insights of Bionet1_003181
The XLogP value of 4.1689 indicates that Bionet1_003181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, Bionet1_003181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003181 has 0 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 Bionet1_003181?
The CAS number of Bionet1_003181 is 338747-99-2.
What is the molecular formula of Bionet1_003181?
The molecular formula of Bionet1_003181 is C17H20ClN3OS.
What is the molecular weight of Bionet1_003181?
The molecular weight of Bionet1_003181 is 349.10 g/mol.
Where can I buy Bionet1_003181?
You can request a quote for Bionet1_003181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003181?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.