Compound 20
TL;DR: Compound 20 (CAS 918657-87-1) is a chemical compound with molecular formula C25H30N2O10 and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-hydroxyphenoxy]acetic acid
Also Known As: Compound 20, 1qxk, 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, J2.036.353C, Benzoic acid,2-[4-[[(2S)-2-(acetylamino)-3-[4-(carboxymethoxy)-3-hydroxyphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-,methyl ester
| Molecular Formula | C25H30N2O10 |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 518.19006 |
| Heavy Atoms | 37 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 918657-87-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC(=O)O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O |
| InChIKey | QEANZBIJPCAREV-KRWDZBQOSA-N |
Product Overview
Compound 20 (CAS 918657-87-1), with molecular formula C25H30N2O10 and molecular weight 518.19 g/mol. IUPAC: 2-[4-[(2S)-2-acetamido-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-hydroxyphenoxy]acetic acid.
Chemical Property Profile of Compound 20
Property Insights of Compound 20
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Compound 20. The TPSA of 181.0 Ų indicates high polarity, suggesting Compound 20 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound 20 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound 20?
The CAS number of Compound 20 is 918657-87-1.
What is the molecular formula of Compound 20?
The molecular formula of Compound 20 is C25H30N2O10.
What is the molecular weight of Compound 20?
The molecular weight of Compound 20 is 518.19 g/mol.
Where can I buy Compound 20?
You can request a quote for Compound 20 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 20?
Yes, KEHONG BIO provides custom synthesis services for Compound 20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.