BAS 04864608
TL;DR: BAS 04864608 (CAS 426235-87-2) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
Also Known As: BAS 04864608, AB00106300-01, 1-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea, 1-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-3-(2-methoxy-phenyl)-urea
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.7987 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 960.61163 |
Chemical Identifiers
| CAS Number | 426235-87-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC)OC |
Product Overview
BAS 04864608 (CAS 426235-87-2), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of BAS 04864608
Property Insights of BAS 04864608
The XLogP value of 3.7987 indicates that BAS 04864608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04864608. Following Lipinski's Rule of Five, BAS 04864608 has 2 hydrogen bond donor(s) and 7 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 BAS 04864608?
The CAS number of BAS 04864608 is 426235-87-2.
What is the molecular formula of BAS 04864608?
The molecular formula of BAS 04864608 is C19H20N4O4S.
What is the molecular weight of BAS 04864608?
The molecular weight of BAS 04864608 is 400.12 g/mol.
Where can I buy BAS 04864608?
You can request a quote for BAS 04864608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04864608?
Yes, KEHONG BIO provides custom synthesis services for BAS 04864608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.