Cda-IN-2
TL;DR: Cda-IN-2 (CAS 2559404-67-8) is a chemical compound with molecular formula C17H16N2O7 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: CDA-IN-2, 2-(2-METHOXY-4-{[(5Z)-2,4,6-TRIOXO-1-(PROP-2-EN-1-YL)-1,3-DIAZINAN-5-YLIDENE]METHYL}PHENOXY)ACETIC ACID, 2-[2-methoxy-4-[(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic Acid, 2-[2-methoxy-4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
| Molecular Formula | C17H16N2O7 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 0.8064 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.09576 |
| Heavy Atoms | 26 |
| Complexity | 813.32947 |
Chemical Identifiers
| CAS Number | 2559404-67-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C)OCC(=O)O |
Product Overview
Cda-IN-2 (CAS 2559404-67-8), with molecular formula C17H16N2O7 and molecular weight 360.10 g/mol. IUPAC: 2-[2-methoxy-4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of Cda-IN-2
Property Insights of Cda-IN-2
The XLogP value of 0.8064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cda-IN-2. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Cda-IN-2. Following Lipinski's Rule of Five, Cda-IN-2 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 Cda-IN-2?
The CAS number of Cda-IN-2 is 2559404-67-8.
What is the molecular formula of Cda-IN-2?
The molecular formula of Cda-IN-2 is C17H16N2O7.
What is the molecular weight of Cda-IN-2?
The molecular weight of Cda-IN-2 is 360.10 g/mol.
Where can I buy Cda-IN-2?
You can request a quote for Cda-IN-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cda-IN-2?
Yes, KEHONG BIO provides custom synthesis services for Cda-IN-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.