A 53868A
TL;DR: A 53868A (CAS 116198-48-2) is a chemical compound with molecular formula C11H22N3O5P and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid
Also Known As: A 53868A, A-53868 A, Glycyl-N-(2-phosphono-2-propenyl)-L-leucinamide, 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid, L-Leucinamide, glycyl-N-(2-phosphono-2-propenyl)-
| Molecular Formula | C11H22N3O5P |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | -0.7164 |
| Topological Polar Surface Area | 141.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 307.1297 |
| Heavy Atoms | 20 |
| Complexity | 418.28165 |
Chemical Identifiers
| CAS Number | 116198-48-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)NC(=O)CN)NCC(=C)P(=O)(O)O |
Product Overview
A 53868A (CAS 116198-48-2), with molecular formula C11H22N3O5P and molecular weight 307.13 g/mol. IUPAC: 3-[[(2S)-1-[(2-aminoacetyl)amino]-4-methyl-1-oxopentan-2-yl]amino]prop-1-en-2-ylphosphonic acid.
Chemical Property Profile of A 53868A
Property Insights of A 53868A
The XLogP value of -0.7164 indicates that A 53868A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.75 Ų indicates high polarity, suggesting A 53868A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 53868A has 5 hydrogen bond donor(s) and 5 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 A 53868A?
The CAS number of A 53868A is 116198-48-2.
What is the molecular formula of A 53868A?
The molecular formula of A 53868A is C11H22N3O5P.
What is the molecular weight of A 53868A?
The molecular weight of A 53868A is 307.13 g/mol.
Where can I buy A 53868A?
You can request a quote for A 53868A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 53868A?
Yes, KEHONG BIO provides custom synthesis services for A 53868A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.