AB00105822-01
TL;DR: AB00105822-01 (CAS 426237-73-2) 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-(3-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: AB00105822-01, 1-(3-methoxyphenyl)-3-(5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-(3-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(5-((2-allylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea, N-{5-[(2-allylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(3-methoxyphenyl)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 | 957.88367 |
Chemical Identifiers
| CAS Number | 426237-73-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)COC3=CC=CC=C3CC=C |
Product Overview
AB00105822-01 (CAS 426237-73-2), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 1-(3-methoxyphenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of AB00105822-01
Property Insights of AB00105822-01
The XLogP value of 4.4982 indicates that AB00105822-01 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 AB00105822-01. Following Lipinski's Rule of Five, AB00105822-01 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 AB00105822-01?
The CAS number of AB00105822-01 is 426237-73-2.
What is the molecular formula of AB00105822-01?
The molecular formula of AB00105822-01 is C20H20N4O3S.
What is the molecular weight of AB00105822-01?
The molecular weight of AB00105822-01 is 396.13 g/mol.
Where can I buy AB00105822-01?
You can request a quote for AB00105822-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105822-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105822-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.