AB00105823-01
TL;DR: AB00105823-01 (CAS 426237-81-2) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
Also Known As: AB00105823-01, 1-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-methoxyphenyl)urea, 1-(5-((4-chloro-3-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea, N-{5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 4.73152 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 947.8611 |
Chemical Identifiers
| CAS Number | 426237-81-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3OC)Cl |
Product Overview
AB00105823-01 (CAS 426237-81-2), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: 1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of AB00105823-01
Property Insights of AB00105823-01
The XLogP value of 4.73152 indicates that AB00105823-01 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 AB00105823-01. Following Lipinski's Rule of Five, AB00105823-01 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 AB00105823-01?
The CAS number of AB00105823-01 is 426237-81-2.
What is the molecular formula of AB00105823-01?
The molecular formula of AB00105823-01 is C18H17ClN4O3S.
What is the molecular weight of AB00105823-01?
The molecular weight of AB00105823-01 is 404.07 g/mol.
Where can I buy AB00105823-01?
You can request a quote for AB00105823-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105823-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105823-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.