Cgp 64213
TL;DR: Cgp 64213 (CAS 200402-50-2) is a chemical compound with molecular formula C26H36IN2O7P and molecular weight 646.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid
Also Known As: CGP 64213, GABAB receptor antagonist 2, 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid, 3-((1R)-1-(((2S)-2-hydroxy-3-(hydroxy-(5-(3-(4-hydroxy-3-iodophenyl)propanoylamino)pentyl)phosphoryl)propyl)amino)ethyl)benzoic acid
| Molecular Formula | C26H36IN2O7P |
|---|---|
| Molecular Weight | 646.13 g/mol |
| LogP | 3.8962 |
| Topological Polar Surface Area | 156.19 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 646.1305 |
| Heavy Atoms | 37 |
| Complexity | 1098.3448 |
Chemical Identifiers
| CAS Number | 200402-50-2 |
|---|---|
| SMILES | C[C@H](C1=CC(=CC=C1)C(=O)O)NC[C@@H](CP(=O)(CCCCCNC(=O)CCC2=CC(=C(C=C2)O)I)O)O |
Product Overview
Cgp 64213 (CAS 200402-50-2), with molecular formula C26H36IN2O7P and molecular weight 646.13 g/mol. IUPAC: 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid.
Chemical Property Profile of Cgp 64213
Property Insights of Cgp 64213
The XLogP value of 3.8962 indicates that Cgp 64213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.19 Ų indicates high polarity, suggesting Cgp 64213 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cgp 64213 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cgp 64213?
The CAS number of Cgp 64213 is 200402-50-2.
What is the molecular formula of Cgp 64213?
The molecular formula of Cgp 64213 is C26H36IN2O7P.
What is the molecular weight of Cgp 64213?
The molecular weight of Cgp 64213 is 646.13 g/mol.
Where can I buy Cgp 64213?
You can request a quote for Cgp 64213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgp 64213?
Yes, KEHONG BIO provides custom synthesis services for Cgp 64213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.