Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-
TL;DR: Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- (CAS 25644-83-1) is a chemical compound with molecular formula C26H34N2O13 and molecular weight 582.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-, L-Serine,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]-, methyl ester, Alanine, 3-[(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)oxy]-N-carboxy-, N-benzyl methyl ester, 3',4',6'-triacetate, L-, L-Serine, N-[(phenylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]-, methyl ester, Methyl 3-({3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl}oxy)-2-{[(benzyloxy)carbonyl]amino}propanoate
| Molecular Formula | C26H34N2O13 |
|---|---|
| Molecular Weight | 582.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 582.2061 |
| Heavy Atoms | 41 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 25644-83-1 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | ORNSMGRGKYZBML-UHFFFAOYSA-N |
Product Overview
Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- (CAS 25644-83-1), with molecular formula C26H34N2O13 and molecular weight 582.21 g/mol. IUPAC: methyl 3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-
Property Insights of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-. The TPSA of 191.0 Ų indicates high polarity, suggesting Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-?
The CAS number of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- is 25644-83-1.
What is the molecular formula of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-?
The molecular formula of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- is C26H34N2O13.
What is the molecular weight of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-?
The molecular weight of Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- is 582.21 g/mol.
Where can I buy Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-?
You can request a quote for Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzyl methyl ester, 3',4',6'-triacetate, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.