CDA-IN-1
TL;DR: CDA-IN-1 (CAS 354562-11-1) 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-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: CDA-IN-1, AM-879/37189010, 2-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid, {3-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid, {3-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)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 | 354562-11-1 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=CC=C2)OCC(=O)O)C(=O)N(C1=O)C |
Product Overview
CDA-IN-1 (CAS 354562-11-1), with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol. IUPAC: 2-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of CDA-IN-1
Property Insights of CDA-IN-1
The XLogP value of 0.5838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDA-IN-1. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CDA-IN-1. Following Lipinski's Rule of Five, CDA-IN-1 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 CDA-IN-1?
The CAS number of CDA-IN-1 is 354562-11-1.
What is the molecular formula of CDA-IN-1?
The molecular formula of CDA-IN-1 is C15H14N2O6.
What is the molecular weight of CDA-IN-1?
The molecular weight of CDA-IN-1 is 318.09 g/mol.
Where can I buy CDA-IN-1?
You can request a quote for CDA-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDA-IN-1?
Yes, KEHONG BIO provides custom synthesis services for CDA-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.