VU0513260-1
TL;DR: VU0513260-1 (CAS 879620-35-6) is a chemical compound with molecular formula C22H23N5O3S and molecular weight 437.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: VU0513260-1, AB00689311-01, F3212-0004, ethyl 4-[({[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Ethyl 4-[[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H23N5O3S |
|---|---|
| Molecular Weight | 437.15 g/mol |
| LogP | 3.6208 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 437.15216 |
| Heavy Atoms | 31 |
| Complexity | 1061.7554 |
Chemical Identifiers
| CAS Number | 879620-35-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)N |
Product Overview
VU0513260-1 (CAS 879620-35-6), with molecular formula C22H23N5O3S and molecular weight 437.15 g/mol. IUPAC: ethyl 4-[[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of VU0513260-1
Property Insights of VU0513260-1
The XLogP value of 3.6208 indicates that VU0513260-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513260-1. Following Lipinski's Rule of Five, VU0513260-1 has 2 hydrogen bond donor(s) and 7 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 VU0513260-1?
The CAS number of VU0513260-1 is 879620-35-6.
What is the molecular formula of VU0513260-1?
The molecular formula of VU0513260-1 is C22H23N5O3S.
What is the molecular weight of VU0513260-1?
The molecular weight of VU0513260-1 is 437.15 g/mol.
Where can I buy VU0513260-1?
You can request a quote for VU0513260-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513260-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513260-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.