VU0618458-1
TL;DR: VU0618458-1 (CAS 690643-68-6) is a chemical compound with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: VU0618458-1, F3394-1292, 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-({10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C18H23N3O2S2 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 3.1297 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.12317 |
| Heavy Atoms | 25 |
| Complexity | 784.2094 |
Chemical Identifiers
| CAS Number | 690643-68-6 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NCC4CCCO4 |
Product Overview
VU0618458-1 (CAS 690643-68-6), with molecular formula C18H23N3O2S2 and molecular weight 377.12 g/mol. IUPAC: 2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of VU0618458-1
Property Insights of VU0618458-1
The XLogP value of 3.1297 indicates that VU0618458-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618458-1. Following Lipinski's Rule of Five, VU0618458-1 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 VU0618458-1?
The CAS number of VU0618458-1 is 690643-68-6.
What is the molecular formula of VU0618458-1?
The molecular formula of VU0618458-1 is C18H23N3O2S2.
What is the molecular weight of VU0618458-1?
The molecular weight of VU0618458-1 is 377.12 g/mol.
Where can I buy VU0618458-1?
You can request a quote for VU0618458-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618458-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618458-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.