VU0061014-1
TL;DR: VU0061014-1 (CAS 315693-28-8) is a chemical compound with molecular formula C25H21N3O4S2 and molecular weight 491.10 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-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: VU0061014-1, AF-399/15127096, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-(4-oxo-3-phenyl(3,5,6,7-tetrahydrocycl openta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio))acetamide
| Molecular Formula | C25H21N3O4S2 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.4379 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.09735 |
| Heavy Atoms | 34 |
| Complexity | 1462.79 |
Chemical Identifiers
| CAS Number | 315693-28-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6 |
Product Overview
VU0061014-1 (CAS 315693-28-8), with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of VU0061014-1
Property Insights of VU0061014-1
The XLogP value of 4.4379 indicates that VU0061014-1 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 VU0061014-1. Following Lipinski's Rule of Five, VU0061014-1 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 VU0061014-1?
The CAS number of VU0061014-1 is 315693-28-8.
What is the molecular formula of VU0061014-1?
The molecular formula of VU0061014-1 is C25H21N3O4S2.
What is the molecular weight of VU0061014-1?
The molecular weight of VU0061014-1 is 491.10 g/mol.
Where can I buy VU0061014-1?
You can request a quote for VU0061014-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0061014-1?
Yes, KEHONG BIO provides custom synthesis services for VU0061014-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.