CID 59787
TL;DR: CID 59787 (CAS 103734-52-7) is a chemical compound with molecular formula C25H29NO9 and molecular weight 487.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;dimethyl-[2-[2-(3-phenylprop-2-enoyl)phenoxy]ethyl]azanium
Also Known As: 2-(2-Dimethylaminoethoxy)chalcone citrate, CHALCONE, 2-(2-DIMETHYLAMINOETHOXY)-, CITRATE, 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate; dimethyl-[2-[2-[(E)-3-phenylprop-2-enoyl]phenoxy]ethyl]azanium
| Molecular Formula | C25H29NO9 |
|---|---|
| Molecular Weight | 487.18 g/mol |
| LogP | -0.62 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 487.18423 |
| Heavy Atoms | 35 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 103734-52-7 |
|---|---|
| SMILES | C[NH+](C)CCOC1=CC=CC=C1C(=O)C=CC2=CC=CC=C2.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-] |
| InChIKey | WACAMKPSCTXROY-UHFFFAOYSA-N |
Product Overview
CID 59787 (CAS 103734-52-7), with molecular formula C25H29NO9 and molecular weight 487.18 g/mol. IUPAC: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;dimethyl-[2-[2-(3-phenylprop-2-enoyl)phenoxy]ethyl]azanium.
Chemical Property Profile of CID 59787
Property Insights of CID 59787
The XLogP value of -0.62 indicates that CID 59787 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting CID 59787 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 59787 has 4 hydrogen bond donor(s) and 9 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 CID 59787?
The CAS number of CID 59787 is 103734-52-7.
What is the molecular formula of CID 59787?
The molecular formula of CID 59787 is C25H29NO9.
What is the molecular weight of CID 59787?
The molecular weight of CID 59787 is 487.18 g/mol.
Where can I buy CID 59787?
You can request a quote for CID 59787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 59787?
Yes, KEHONG BIO provides custom synthesis services for CID 59787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.