Bionet1_004583
TL;DR: Bionet1_004583 (CAS 439111-03-2) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: Bionet1_004583, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-ol, 6R-0077, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.30504 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 1096.4537 |
Chemical Identifiers
| CAS Number | 439111-03-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)COC)C |
Product Overview
Bionet1_004583 (CAS 439111-03-2), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of Bionet1_004583
Property Insights of Bionet1_004583
The XLogP value of 3.30504 indicates that Bionet1_004583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004583. Following Lipinski's Rule of Five, Bionet1_004583 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 Bionet1_004583?
The CAS number of Bionet1_004583 is 439111-03-2.
What is the molecular formula of Bionet1_004583?
The molecular formula of Bionet1_004583 is C18H18N4O2S.
What is the molecular weight of Bionet1_004583?
The molecular weight of Bionet1_004583 is 354.12 g/mol.
Where can I buy Bionet1_004583?
You can request a quote for Bionet1_004583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004583?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.