Einecs 226-858-8
TL;DR: Einecs 226-858-8 (CAS 56816-63-8) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-formamido-4-oxo-4-phenylmethoxybutanoic acid
Also Known As: KST-1A6107, 4-Benzyl hydrogen N-formyl-L-aspartate, (3S)-3-formamido-4-oxo-4-phenylmethoxybutanoic acid, (3s)-4-(benzyloxy)-3-(formylamino)-4-oxobutanoic acid(non-preferred name)
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 56816-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)O)NC=O |
| InChIKey | VBVOXHBCUVICCE-JTQLQIEISA-N |
Product Overview
Einecs 226-858-8 (CAS 56816-63-8), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: (3S)-3-formamido-4-oxo-4-phenylmethoxybutanoic acid.
Chemical Property Profile of Einecs 226-858-8
Property Insights of Einecs 226-858-8
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 226-858-8. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 226-858-8. Following Lipinski's Rule of Five, Einecs 226-858-8 has 2 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 Einecs 226-858-8?
The CAS number of Einecs 226-858-8 is 56816-63-8.
What is the molecular formula of Einecs 226-858-8?
The molecular formula of Einecs 226-858-8 is C12H13NO5.
What is the molecular weight of Einecs 226-858-8?
The molecular weight of Einecs 226-858-8 is 251.08 g/mol.
Where can I buy Einecs 226-858-8?
You can request a quote for Einecs 226-858-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 226-858-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 226-858-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.