VU0512315-1
TL;DR: VU0512315-1 (CAS 403718-47-8) is a chemical compound with molecular formula C20H18BrN3O2S and molecular weight 443.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: VU0512315-1, F3168-0087, 3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-bromobenzyl)-7-(pyrrolidin-1-ylcarbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(3-bromobenzyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C20H18BrN3O2S |
|---|---|
| Molecular Weight | 443.03 g/mol |
| LogP | 4.10589 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.0303 |
| Heavy Atoms | 27 |
| Complexity | 1145.9073 |
Chemical Identifiers
| CAS Number | 403718-47-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br |
Product Overview
VU0512315-1 (CAS 403718-47-8), with molecular formula C20H18BrN3O2S and molecular weight 443.03 g/mol. IUPAC: 3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of VU0512315-1
Property Insights of VU0512315-1
The XLogP value of 4.10589 indicates that VU0512315-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, VU0512315-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0512315-1 has 1 hydrogen bond donor(s) and 3 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 VU0512315-1?
The CAS number of VU0512315-1 is 403718-47-8.
What is the molecular formula of VU0512315-1?
The molecular formula of VU0512315-1 is C20H18BrN3O2S.
What is the molecular weight of VU0512315-1?
The molecular weight of VU0512315-1 is 443.03 g/mol.
Where can I buy VU0512315-1?
You can request a quote for VU0512315-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512315-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512315-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.