ChemDiv3_005369
TL;DR: ChemDiv3_005369 (CAS 671200-10-5) is a chemical compound with molecular formula C21H19ClN4OS2 and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
Also Known As: ChemDiv3_005369, IDI1_023279, VU0608785-1, F3285-1109, BRD-K14186277-001-01-0
| Molecular Formula | C21H19ClN4OS2 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 4.9523 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.06888 |
| Heavy Atoms | 29 |
| Complexity | 1093.037 |
Chemical Identifiers
| CAS Number | 671200-10-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CCSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv3_005369 (CAS 671200-10-5), with molecular formula C21H19ClN4OS2 and molecular weight 442.07 g/mol. IUPAC: 3-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide.
Chemical Property Profile of ChemDiv3_005369
Property Insights of ChemDiv3_005369
The XLogP value of 4.9523 indicates that ChemDiv3_005369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, ChemDiv3_005369 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005369 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 ChemDiv3_005369?
The CAS number of ChemDiv3_005369 is 671200-10-5.
What is the molecular formula of ChemDiv3_005369?
The molecular formula of ChemDiv3_005369 is C21H19ClN4OS2.
What is the molecular weight of ChemDiv3_005369?
The molecular weight of ChemDiv3_005369 is 442.07 g/mol.
Where can I buy ChemDiv3_005369?
You can request a quote for ChemDiv3_005369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005369?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.