RefChem:350918
TL;DR: RefChem:350918 (CAS 29820-36-8) is a chemical compound with molecular formula C16H14I4N2O6 and molecular weight 837.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
Also Known As: L-Proline, 1-(4-(((carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-, 1-(4-(((Carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-L-proline, 1-(4-(N-Methyl-N-carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-pyrrolidin-2-carbonsaure, 1-{4-[(Carboxymethyl)(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl}-L-proline, (2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C16H14I4N2O6 |
|---|---|
| Molecular Weight | 837.70 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 837.7031 |
| Heavy Atoms | 28 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 29820-36-8 |
|---|---|
| SMILES | CN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCC[C@H]2C(=O)O)I)I |
| InChIKey | JPPQHAFOFQJWNP-LURJTMIESA-N |
Product Overview
RefChem:350918 (CAS 29820-36-8), with molecular formula C16H14I4N2O6 and molecular weight 837.70 g/mol. IUPAC: (2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of RefChem:350918
Property Insights of RefChem:350918
The XLogP value of 3.2 indicates that RefChem:350918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350918. Following Lipinski's Rule of Five, RefChem:350918 has 2 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 RefChem:350918?
The CAS number of RefChem:350918 is 29820-36-8.
What is the molecular formula of RefChem:350918?
The molecular formula of RefChem:350918 is C16H14I4N2O6.
What is the molecular weight of RefChem:350918?
The molecular weight of RefChem:350918 is 837.70 g/mol.
Where can I buy RefChem:350918?
You can request a quote for RefChem:350918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.