VU0618351-1
TL;DR: VU0618351-1 (CAS 690644-90-7) is a chemical compound with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: VU0618351-1, F3394-1048, 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H18N2O4S2 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.96454 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0708 |
| Heavy Atoms | 28 |
| Complexity | 1163.2025 |
Chemical Identifiers
| CAS Number | 690644-90-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)CC=C)C |
Product Overview
VU0618351-1 (CAS 690644-90-7), with molecular formula C20H18N2O4S2 and molecular weight 414.07 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of VU0618351-1
Property Insights of VU0618351-1
The XLogP value of 3.96454 indicates that VU0618351-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618351-1. Following Lipinski's Rule of Five, VU0618351-1 has 0 hydrogen bond donor(s) and 7 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 VU0618351-1?
The CAS number of VU0618351-1 is 690644-90-7.
What is the molecular formula of VU0618351-1?
The molecular formula of VU0618351-1 is C20H18N2O4S2.
What is the molecular weight of VU0618351-1?
The molecular weight of VU0618351-1 is 414.07 g/mol.
Where can I buy VU0618351-1?
You can request a quote for VU0618351-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618351-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618351-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.