VU0512587-1
TL;DR: VU0512587-1 (CAS 896702-20-8) is a chemical compound with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
Also Known As: VU0512587-1, AB00683390-01, 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, F3168-1934, 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C27H28N4O3S |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 4.4366 |
| Topological Polar Surface Area | 80.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.1882 |
| Heavy Atoms | 35 |
| Complexity | 1346.3716 |
Chemical Identifiers
| CAS Number | 896702-20-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCC5=CC=CO5 |
Product Overview
VU0512587-1 (CAS 896702-20-8), with molecular formula C27H28N4O3S and molecular weight 488.19 g/mol. IUPAC: 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of VU0512587-1
Property Insights of VU0512587-1
The XLogP value of 4.4366 indicates that VU0512587-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.37 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512587-1. Following Lipinski's Rule of Five, VU0512587-1 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 VU0512587-1?
The CAS number of VU0512587-1 is 896702-20-8.
What is the molecular formula of VU0512587-1?
The molecular formula of VU0512587-1 is C27H28N4O3S.
What is the molecular weight of VU0512587-1?
The molecular weight of VU0512587-1 is 488.19 g/mol.
Where can I buy VU0512587-1?
You can request a quote for VU0512587-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512587-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512587-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.