BAS 04871109
TL;DR: BAS 04871109 (CAS 426249-00-5) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: BAS 04871109, AB00106217-01, 1-(4-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(4-methoxyphenyl)-3-(5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-[5-(2-Allyl-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-3-(4-methoxy-phenyl)-urea
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.4982 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 940.63367 |
Chemical Identifiers
| CAS Number | 426249-00-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3CC=C |
Product Overview
BAS 04871109 (CAS 426249-00-5), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of BAS 04871109
Property Insights of BAS 04871109
The XLogP value of 4.4982 indicates that BAS 04871109 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 04871109. Following Lipinski's Rule of Five, BAS 04871109 has 2 hydrogen bond donor(s) and 6 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 04871109?
The CAS number of BAS 04871109 is 426249-00-5.
What is the molecular formula of BAS 04871109?
The molecular formula of BAS 04871109 is C20H20N4O3S.
What is the molecular weight of BAS 04871109?
The molecular weight of BAS 04871109 is 396.13 g/mol.
Where can I buy BAS 04871109?
You can request a quote for BAS 04871109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04871109?
Yes, KEHONG BIO provides custom synthesis services for BAS 04871109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.