ChemDiv3_004388
TL;DR: ChemDiv3_004388 (CAS 487024-38-4) is a chemical compound with molecular formula C18H19N5O2S2 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_004388, IDI1_022298, BAS 05228504, AF-399/41219671, BRD-K06454137-001-01-2
| Molecular Formula | C18H19N5O2S2 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.17724 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.09802 |
| Heavy Atoms | 27 |
| Complexity | 881.52747 |
Chemical Identifiers
| CAS Number | 487024-38-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC(=O)NCC3=CC=CC=C3)C |
Product Overview
ChemDiv3_004388 (CAS 487024-38-4), with molecular formula C18H19N5O2S2 and molecular weight 401.10 g/mol. IUPAC: N-benzyl-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_004388
Property Insights of ChemDiv3_004388
The XLogP value of 3.17724 indicates that ChemDiv3_004388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004388. Following Lipinski's Rule of Five, ChemDiv3_004388 has 1 hydrogen bond donor(s) and 8 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 ChemDiv3_004388?
The CAS number of ChemDiv3_004388 is 487024-38-4.
What is the molecular formula of ChemDiv3_004388?
The molecular formula of ChemDiv3_004388 is C18H19N5O2S2.
What is the molecular weight of ChemDiv3_004388?
The molecular weight of ChemDiv3_004388 is 401.10 g/mol.
Where can I buy ChemDiv3_004388?
You can request a quote for ChemDiv3_004388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004388?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.