AB00105299-01
TL;DR: AB00105299-01 (CAS 425652-66-0) is a chemical compound with molecular formula C19H13BrN2O6 and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: AB00105299-01, 2-[4-[[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic Acid, (4-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(4-((1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-(4-{[1-(3-BROMOPHENYL)-2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}PHENOXY)ACETIC ACID
| Molecular Formula | C19H13BrN2O6 |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 2.5789 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.9957 |
| Heavy Atoms | 28 |
| Complexity | 999.7384 |
Chemical Identifiers
| CAS Number | 425652-66-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C(=O)NC2=O |
Product Overview
AB00105299-01 (CAS 425652-66-0), with molecular formula C19H13BrN2O6 and molecular weight 444.00 g/mol. IUPAC: 2-[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00105299-01
Property Insights of AB00105299-01
The XLogP value of 2.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105299-01. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105299-01. Following Lipinski's Rule of Five, AB00105299-01 has 2 hydrogen bond donor(s) and 5 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 AB00105299-01?
The CAS number of AB00105299-01 is 425652-66-0.
What is the molecular formula of AB00105299-01?
The molecular formula of AB00105299-01 is C19H13BrN2O6.
What is the molecular weight of AB00105299-01?
The molecular weight of AB00105299-01 is 444.00 g/mol.
Where can I buy AB00105299-01?
You can request a quote for AB00105299-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105299-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105299-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.