VU0608539-1
TL;DR: VU0608539-1 (CAS 846590-67-8) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: VU0608539-1, 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-({4-methyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide, N-[(perhydro-2-furyl)methyl](3-methyl-9-oxa-2,4-diaza-1-fluorenylthio)acetamide
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 846590-67-8 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NCC3CCCO3)OC4=CC=CC=C42 |
| InChIKey | RAXSRXPPZMFAJO-UHFFFAOYSA-N |
Product Overview
VU0608539-1 (CAS 846590-67-8), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of VU0608539-1
Property Insights of VU0608539-1
The XLogP value of 3.0 indicates that VU0608539-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0608539-1. Following Lipinski's Rule of Five, VU0608539-1 has 1 hydrogen bond donor(s) and 6 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 VU0608539-1?
The CAS number of VU0608539-1 is 846590-67-8.
What is the molecular formula of VU0608539-1?
The molecular formula of VU0608539-1 is C18H19N3O3S.
What is the molecular weight of VU0608539-1?
The molecular weight of VU0608539-1 is 357.11 g/mol.
Where can I buy VU0608539-1?
You can request a quote for VU0608539-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0608539-1?
Yes, KEHONG BIO provides custom synthesis services for VU0608539-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.