BAS 04872698
TL;DR: BAS 04872698 (CAS 426237-01-6) is a chemical compound with molecular formula C17H14Cl2N4O3S and molecular weight 424.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: BAS 04872698, AB00105807-01, 1-(2,4-dichlorophenyl)-3-{5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(2,4-dichlorophenyl)-3-(5-((4-methoxyphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(2,4-dichlorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C17H14Cl2N4O3S |
|---|---|
| Molecular Weight | 424.02 g/mol |
| LogP | 5.0765 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.01636 |
| Heavy Atoms | 27 |
| Complexity | 934.18286 |
Chemical Identifiers
| CAS Number | 426237-01-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 04872698 (CAS 426237-01-6), with molecular formula C17H14Cl2N4O3S and molecular weight 424.02 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of BAS 04872698
Property Insights of BAS 04872698
The XLogP value of 5.0765 indicates that BAS 04872698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04872698. Following Lipinski's Rule of Five, BAS 04872698 has 2 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 BAS 04872698?
The CAS number of BAS 04872698 is 426237-01-6.
What is the molecular formula of BAS 04872698?
The molecular formula of BAS 04872698 is C17H14Cl2N4O3S.
What is the molecular weight of BAS 04872698?
The molecular weight of BAS 04872698 is 424.02 g/mol.
Where can I buy BAS 04872698?
You can request a quote for BAS 04872698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04872698?
Yes, KEHONG BIO provides custom synthesis services for BAS 04872698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.