1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate
TL;DR: 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate (CAS 18625-03-1) is a chemical compound with molecular formula C18H23NO7 and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioate
Also Known As: 1-benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate, 1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioate, 1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexa, 1-BENZYL 6-ETHYL 2-ACETAMIDO-2-(HYDROXYMETHYL)-3-OXOHEXANEDIOATE, BENZYL ETHYL 2-ACETAMIDO-2-(HYDROXYMETHYL)-3-OXO-HEXANEDIOATE
| Molecular Formula | C18H23NO7 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 365.14746 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 18625-03-1 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C(CO)(C(=O)OCC1=CC=CC=C1)NC(=O)C |
| InChIKey | PAPCYNCGILOTRU-UHFFFAOYSA-N |
Product Overview
1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate (CAS 18625-03-1), with molecular formula C18H23NO7 and molecular weight 365.15 g/mol. IUPAC: 1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioate.
Chemical Property Profile of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate
Property Insights of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate. Following Lipinski's Rule of Five, 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate has 2 hydrogen bond donor(s) and 7 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 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate?
The CAS number of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate is 18625-03-1.
What is the molecular formula of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate?
The molecular formula of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate is C18H23NO7.
What is the molecular weight of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate?
The molecular weight of 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate is 365.15 g/mol.
Where can I buy 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate?
You can request a quote for 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl 6-ethyl 2-(acetylamino)-2-(hydroxymethyl)-3-oxohexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.