2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate
TL;DR: 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate (CAS 299172-59-1) is a chemical compound with molecular formula C30H49NO5 and molecular weight 503.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-en-3-yl] benzoate
Also Known As: [1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-en-3-yl] Benzoate|2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate|MFCD04116112
| Molecular Formula | C30H49NO5 |
|---|---|
| Molecular Weight | 503.36 g/mol |
| LogP | 7.3549 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 503.36108 |
| Heavy Atoms | 36 |
| Complexity | 741.4562 |
Chemical Identifiers
| CAS Number | 299172-59-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)OC(C)(C)C)OC(=O)C1=CC=CC=C1 |
Product Overview
2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate (CAS 299172-59-1), with molecular formula C30H49NO5 and molecular weight 503.36 g/mol. IUPAC: [1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-en-3-yl] benzoate.
Chemical Property Profile of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate
Property Insights of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate
The XLogP value of 7.3549 indicates that 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate. Following Lipinski's Rule of Five, 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate?
The CAS number of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate is 299172-59-1.
What is the molecular formula of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate?
The molecular formula of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate is C30H49NO5.
What is the molecular weight of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate?
The molecular weight of 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate is 503.36 g/mol.
Where can I buy 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate?
You can request a quote for 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Boc-amino)-1-hydroxy-4-octadecen-3-yl (2S,3R,E)-Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.