VU0048157-1
TL;DR: VU0048157-1 (CAS 516458-55-2) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: VU0048157-1, methyl [4-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-(4-(4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamido)phenyl)acetate, methyl 2-[4-({[4-(oxolan-2-ylcarbonyl)piperazinyl]thioxomethyl}amino)phenyl]ac etate, methyl 2-[4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 1.4221 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 680.70013 |
Chemical Identifiers
| CAS Number | 516458-55-2 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 |
Product Overview
VU0048157-1 (CAS 516458-55-2), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: methyl 2-[4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of VU0048157-1
Property Insights of VU0048157-1
The XLogP value of 1.4221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0048157-1. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0048157-1. Following Lipinski's Rule of Five, VU0048157-1 has 1 hydrogen bond donor(s) and 5 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 VU0048157-1?
The CAS number of VU0048157-1 is 516458-55-2.
What is the molecular formula of VU0048157-1?
The molecular formula of VU0048157-1 is C19H25N3O4S.
What is the molecular weight of VU0048157-1?
The molecular weight of VU0048157-1 is 391.16 g/mol.
Where can I buy VU0048157-1?
You can request a quote for VU0048157-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0048157-1?
Yes, KEHONG BIO provides custom synthesis services for VU0048157-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.