VU0048561-1
TL;DR: VU0048561-1 (CAS 516458-02-9) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: VU0048561-1, methyl 2-(4-(4-(3-methoxyphenyl)piperazine-1-carbothioamido)phenyl)acetate, methyl [4-({[4-(3-methoxyphenyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, METHYL 2-[4-({[4-(3-METHOXYPHENYL)PIPERAZINO]CARBOTHIOYL}AMINO)PHENYL]ACETATE, methyl 2-[4-({[4-(3-methoxyphenyl)piperazinyl]thioxomethyl}amino)phenyl]acetat e
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 2.9297 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 817.90045 |
Chemical Identifiers
| CAS Number | 516458-02-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC |
Product Overview
VU0048561-1 (CAS 516458-02-9), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: methyl 2-[4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of VU0048561-1
Property Insights of VU0048561-1
The XLogP value of 2.9297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0048561-1. With a topological polar surface area (TPSA) of 54.04 Ų, VU0048561-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0048561-1 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 VU0048561-1?
The CAS number of VU0048561-1 is 516458-02-9.
What is the molecular formula of VU0048561-1?
The molecular formula of VU0048561-1 is C21H25N3O3S.
What is the molecular weight of VU0048561-1?
The molecular weight of VU0048561-1 is 399.16 g/mol.
Where can I buy VU0048561-1?
You can request a quote for VU0048561-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0048561-1?
Yes, KEHONG BIO provides custom synthesis services for VU0048561-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.