VU0507771-1
TL;DR: VU0507771-1 (CAS 1030830-15-9) is a chemical compound with molecular formula C18H22BrN3O4S and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: VU0507771-1, F3035-3114, isopropyl 2-(1-((3-bromo-4-methylbenzoyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, propan-2-yl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, propan-2-yl 2-(1-{[(3-bromo-4-methylphenyl)formamido]methanethioyl}-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C18H22BrN3O4S |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 1.91432 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.05145 |
| Heavy Atoms | 27 |
| Complexity | 768.9737 |
Chemical Identifiers
| CAS Number | 1030830-15-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br |
Product Overview
VU0507771-1 (CAS 1030830-15-9), with molecular formula C18H22BrN3O4S and molecular weight 455.05 g/mol. IUPAC: propan-2-yl 2-[1-[(3-bromo-4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of VU0507771-1
Property Insights of VU0507771-1
The XLogP value of 1.91432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0507771-1. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0507771-1. Following Lipinski's Rule of Five, VU0507771-1 has 2 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 VU0507771-1?
The CAS number of VU0507771-1 is 1030830-15-9.
What is the molecular formula of VU0507771-1?
The molecular formula of VU0507771-1 is C18H22BrN3O4S.
What is the molecular weight of VU0507771-1?
The molecular weight of VU0507771-1 is 455.05 g/mol.
Where can I buy VU0507771-1?
You can request a quote for VU0507771-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0507771-1?
Yes, KEHONG BIO provides custom synthesis services for VU0507771-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.