VU0608478-1
TL;DR: VU0608478-1 (CAS 578752-34-8) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: VU0608478-1, F3277-0388, 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 3.76284 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1199.1602 |
Chemical Identifiers
| CAS Number | 578752-34-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)CC=C)C |
Product Overview
VU0608478-1 (CAS 578752-34-8), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of VU0608478-1
Property Insights of VU0608478-1
The XLogP value of 3.76284 indicates that VU0608478-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0608478-1. Following Lipinski's Rule of Five, VU0608478-1 has 1 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 VU0608478-1?
The CAS number of VU0608478-1 is 578752-34-8.
What is the molecular formula of VU0608478-1?
The molecular formula of VU0608478-1 is C21H21N3O4S2.
What is the molecular weight of VU0608478-1?
The molecular weight of VU0608478-1 is 443.10 g/mol.
Where can I buy VU0608478-1?
You can request a quote for VU0608478-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0608478-1?
Yes, KEHONG BIO provides custom synthesis services for VU0608478-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.