BAS 01891863
TL;DR: BAS 01891863 (CAS 332931-65-4) is a chemical compound with molecular formula C17H15ClN4OS2 and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: BAS 01891863, BIM-0010438.P001, 1-(5-(((4-chlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea, N-(5-{[(4-chlorobenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)-N'-phenylurea, 1-[5-(4-Chloro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-phenyl-urea
| Molecular Formula | C17H15ClN4OS2 |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 5.2689 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.03757 |
| Heavy Atoms | 25 |
| Complexity | 824.17896 |
Chemical Identifiers
| CAS Number | 332931-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl |
Product Overview
BAS 01891863 (CAS 332931-65-4), with molecular formula C17H15ClN4OS2 and molecular weight 390.04 g/mol. IUPAC: 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea.
Chemical Property Profile of BAS 01891863
Property Insights of BAS 01891863
The XLogP value of 5.2689 indicates that BAS 01891863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01891863. Following Lipinski's Rule of Five, BAS 01891863 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01891863?
The CAS number of BAS 01891863 is 332931-65-4.
What is the molecular formula of BAS 01891863?
The molecular formula of BAS 01891863 is C17H15ClN4OS2.
What is the molecular weight of BAS 01891863?
The molecular weight of BAS 01891863 is 390.04 g/mol.
Where can I buy BAS 01891863?
You can request a quote for BAS 01891863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01891863?
Yes, KEHONG BIO provides custom synthesis services for BAS 01891863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.