AB00106746-01
TL;DR: AB00106746-01 (CAS 428488-37-3) is a chemical compound with molecular formula C25H23N3O5S and molecular weight 477.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: AB00106746-01, 3,4,5-trimethoxy-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 3,4,5-trimethoxy-N-{[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide, 3,4,5-trimethoxy-N-[[3-(5-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C25H23N3O5S |
|---|---|
| Molecular Weight | 477.14 g/mol |
| LogP | 4.95582 |
| Topological Polar Surface Area | 94.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.13583 |
| Heavy Atoms | 34 |
| Complexity | 1357.2415 |
Chemical Identifiers
| CAS Number | 428488-37-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
AB00106746-01 (CAS 428488-37-3), with molecular formula C25H23N3O5S and molecular weight 477.14 g/mol. IUPAC: 3,4,5-trimethoxy-N-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of AB00106746-01
Property Insights of AB00106746-01
The XLogP value of 4.95582 indicates that AB00106746-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106746-01. Following Lipinski's Rule of Five, AB00106746-01 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 AB00106746-01?
The CAS number of AB00106746-01 is 428488-37-3.
What is the molecular formula of AB00106746-01?
The molecular formula of AB00106746-01 is C25H23N3O5S.
What is the molecular weight of AB00106746-01?
The molecular weight of AB00106746-01 is 477.14 g/mol.
Where can I buy AB00106746-01?
You can request a quote for AB00106746-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106746-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106746-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.