AB00105381-01
TL;DR: AB00105381-01 (CAS 425659-63-8) is a chemical compound with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Also Known As: AB00105381-01, (E)-ethyl 2-(4-((1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, ethyl (4-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate, ETHYL 2-(4-{[1-(3-BROMOPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}PHENOXY)ACETATE, ethyl 2-[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C21H17BrN2O6 |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 3.0574 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.027 |
| Heavy Atoms | 30 |
| Complexity | 1032.047 |
Chemical Identifiers
| CAS Number | 425659-63-8 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br |
Product Overview
AB00105381-01 (CAS 425659-63-8), with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol. IUPAC: ethyl 2-[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00105381-01
Property Insights of AB00105381-01
The XLogP value of 3.0574 indicates that AB00105381-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105381-01. Following Lipinski's Rule of Five, AB00105381-01 has 1 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 AB00105381-01?
The CAS number of AB00105381-01 is 425659-63-8.
What is the molecular formula of AB00105381-01?
The molecular formula of AB00105381-01 is C21H17BrN2O6.
What is the molecular weight of AB00105381-01?
The molecular weight of AB00105381-01 is 472.03 g/mol.
Where can I buy AB00105381-01?
You can request a quote for AB00105381-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105381-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105381-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.