VEL 3838
TL;DR: VEL 3838 (CAS 58339-97-2) is a chemical compound with molecular formula C18H30N4O3S and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] octanoate
Also Known As: VEL 3838, VEL 4038, J1.623.646B, Octanoic acid, 3-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-4-imidazolidinyl ester, 1-(5-t-Butyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-octanoyloxyimidazolidin-2-one
| Molecular Formula | C18H30N4O3S |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.20386 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 58339-97-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1CN(C(=O)N1C2=NN=C(S2)C(C)(C)C)C |
| InChIKey | PEPFCWAAARCLMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
VEL 3838 (CAS 58339-97-2), with molecular formula C18H30N4O3S and molecular weight 382.20 g/mol. IUPAC: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] octanoate.
Chemical Property Profile of VEL 3838
Property Insights of VEL 3838
The XLogP value of 4.6 indicates that VEL 3838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VEL 3838. Following Lipinski's Rule of Five, VEL 3838 has 0 hydrogen bond donor(s) and 6 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 VEL 3838?
The CAS number of VEL 3838 is 58339-97-2.
What is the molecular formula of VEL 3838?
The molecular formula of VEL 3838 is C18H30N4O3S.
What is the molecular weight of VEL 3838?
The molecular weight of VEL 3838 is 382.20 g/mol.
Where can I buy VEL 3838?
You can request a quote for VEL 3838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VEL 3838?
Yes, KEHONG BIO provides custom synthesis services for VEL 3838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.