VU0618188-1
TL;DR: VU0618188-1 (CAS 727688-88-2) is a chemical compound with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
Also Known As: VU0618188-1, F3394-0609, N-(2-phenylethyl)-2-{8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamide, N-phenethyl-2-((6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(2-phenylethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
| Molecular Formula | C21H23N3OS2 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 4.4112 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12827 |
| Heavy Atoms | 27 |
| Complexity | 923.82635 |
Chemical Identifiers
| CAS Number | 727688-88-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
VU0618188-1 (CAS 727688-88-2), with molecular formula C21H23N3OS2 and molecular weight 397.13 g/mol. IUPAC: N-(2-phenylethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide.
Chemical Property Profile of VU0618188-1
Property Insights of VU0618188-1
The XLogP value of 4.4112 indicates that VU0618188-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, VU0618188-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0618188-1 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 VU0618188-1?
The CAS number of VU0618188-1 is 727688-88-2.
What is the molecular formula of VU0618188-1?
The molecular formula of VU0618188-1 is C21H23N3OS2.
What is the molecular weight of VU0618188-1?
The molecular weight of VU0618188-1 is 397.13 g/mol.
Where can I buy VU0618188-1?
You can request a quote for VU0618188-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618188-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618188-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.