AB00105485-01
TL;DR: AB00105485-01 (CAS 347387-50-2) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
Also Known As: AB00105485-01, (E)-2-(4-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetic acid, (4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, 2-[4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.44184 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1120.8376 |
Chemical Identifiers
| CAS Number | 347387-50-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)OC)/C(=O)NC2=O)C |
Product Overview
AB00105485-01 (CAS 347387-50-2), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 2-[4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of AB00105485-01
Property Insights of AB00105485-01
The XLogP value of 2.44184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105485-01. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105485-01. Following Lipinski's Rule of Five, AB00105485-01 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 AB00105485-01?
The CAS number of AB00105485-01 is 347387-50-2.
What is the molecular formula of AB00105485-01?
The molecular formula of AB00105485-01 is C22H20N2O7.
What is the molecular weight of AB00105485-01?
The molecular weight of AB00105485-01 is 424.13 g/mol.
Where can I buy AB00105485-01?
You can request a quote for AB00105485-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105485-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105485-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.