AB00107419-01
TL;DR: AB00107419-01 (CAS 425682-49-1) is a chemical compound with molecular formula C20H15ClN2O6 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: AB00107419-01, (2-chloro-4-{(E)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-chloro-4-((2,4,6-trioxo-1-(m-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-chloro-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid, 2-[2-chloro-4-[[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic Acid
| Molecular Formula | C20H15ClN2O6 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 2.77822 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.06186 |
| Heavy Atoms | 29 |
| Complexity | 1062.687 |
Chemical Identifiers
| CAS Number | 425682-49-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Cl)/C(=O)NC2=O |
Product Overview
AB00107419-01 (CAS 425682-49-1), with molecular formula C20H15ClN2O6 and molecular weight 414.06 g/mol. IUPAC: 2-[2-chloro-4-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00107419-01
Property Insights of AB00107419-01
The XLogP value of 2.77822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00107419-01. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00107419-01. Following Lipinski's Rule of Five, AB00107419-01 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 AB00107419-01?
The CAS number of AB00107419-01 is 425682-49-1.
What is the molecular formula of AB00107419-01?
The molecular formula of AB00107419-01 is C20H15ClN2O6.
What is the molecular weight of AB00107419-01?
The molecular weight of AB00107419-01 is 414.06 g/mol.
Where can I buy AB00107419-01?
You can request a quote for AB00107419-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107419-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107419-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.