ChemDiv3_006951
TL;DR: ChemDiv3_006951 (CAS 852399-31-6) is a chemical compound with molecular formula C18H11ClN4O2S and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: ChemDiv3_006951, IDI1_024861, AB00441131-03, 6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, BRD-K97478256-001-01-6
| Molecular Formula | C18H11ClN4O2S |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 5.33462 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0291 |
| Heavy Atoms | 26 |
| Complexity | 1202.26 |
Chemical Identifiers
| CAS Number | 852399-31-6 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C3=NN4C(=NN=C4S3)C5=CC=CO5 |
Product Overview
ChemDiv3_006951 (CAS 852399-31-6), with molecular formula C18H11ClN4O2S and molecular weight 382.03 g/mol. IUPAC: 6-[5-(4-chlorophenyl)-2-methylfuran-3-yl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of ChemDiv3_006951
Property Insights of ChemDiv3_006951
The XLogP value of 5.33462 indicates that ChemDiv3_006951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006951. Following Lipinski's Rule of Five, ChemDiv3_006951 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_006951?
The CAS number of ChemDiv3_006951 is 852399-31-6.
What is the molecular formula of ChemDiv3_006951?
The molecular formula of ChemDiv3_006951 is C18H11ClN4O2S.
What is the molecular weight of ChemDiv3_006951?
The molecular weight of ChemDiv3_006951 is 382.03 g/mol.
Where can I buy ChemDiv3_006951?
You can request a quote for ChemDiv3_006951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006951?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.