AB00113037-01
TL;DR: AB00113037-01 (CAS 313954-04-0) is a chemical compound with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: AB00113037-01, AH-034/10858013, 2-[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic Acid, 2-{2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid, {2-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
| Molecular Formula | C15H14N2O6 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 0.5838 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.08517 |
| Heavy Atoms | 23 |
| Complexity | 698.4322 |
Chemical Identifiers
| CAS Number | 313954-04-0 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CC=C2OCC(=O)O)C(=O)N(C1=O)C |
Product Overview
AB00113037-01 (CAS 313954-04-0), with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol. IUPAC: 2-[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of AB00113037-01
Property Insights of AB00113037-01
The XLogP value of 0.5838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00113037-01. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113037-01. Following Lipinski's Rule of Five, AB00113037-01 has 1 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 AB00113037-01?
The CAS number of AB00113037-01 is 313954-04-0.
What is the molecular formula of AB00113037-01?
The molecular formula of AB00113037-01 is C15H14N2O6.
What is the molecular weight of AB00113037-01?
The molecular weight of AB00113037-01 is 318.09 g/mol.
Where can I buy AB00113037-01?
You can request a quote for AB00113037-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113037-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113037-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.