AB00108118-01
TL;DR: AB00108118-01 (CAS 428464-15-7) is a chemical compound with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: AB00108118-01, (2-chloro-4-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2-chloro-4-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C21H17ClN2O6 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 3.08664 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0775 |
| Heavy Atoms | 30 |
| Complexity | 1108.6705 |
Chemical Identifiers
| CAS Number | 428464-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Cl)/C(=O)NC2=O)C |
Product Overview
AB00108118-01 (CAS 428464-15-7), with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol. IUPAC: 2-[2-chloro-4-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00108118-01
Property Insights of AB00108118-01
The XLogP value of 3.08664 indicates that AB00108118-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108118-01. Following Lipinski's Rule of Five, AB00108118-01 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 AB00108118-01?
The CAS number of AB00108118-01 is 428464-15-7.
What is the molecular formula of AB00108118-01?
The molecular formula of AB00108118-01 is C21H17ClN2O6.
What is the molecular weight of AB00108118-01?
The molecular weight of AB00108118-01 is 428.08 g/mol.
Where can I buy AB00108118-01?
You can request a quote for AB00108118-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108118-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108118-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.