Benzyl N-benzyloxycarbonyl-DL-alaninate
TL;DR: Benzyl N-benzyloxycarbonyl-DL-alaninate (CAS 5513-39-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Benzyl N-benzyloxycarbonyl-DL-alaninate, benzyl n-[(benzyloxy)carbonyl]alaninate, benzyl 2-(phenylmethoxycarbonylamino)propanoate, J2.987.103E, Benzyl N-[(benzyloxy)(hydroxy)methylidene]alaninate
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 5513-39-3 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | CAFULDPKQDKWIN-UHFFFAOYSA-N |
Product Overview
Benzyl N-benzyloxycarbonyl-DL-alaninate (CAS 5513-39-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: benzyl 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Benzyl N-benzyloxycarbonyl-DL-alaninate
Property Insights of Benzyl N-benzyloxycarbonyl-DL-alaninate
The XLogP value of 3.3 indicates that Benzyl N-benzyloxycarbonyl-DL-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-benzyloxycarbonyl-DL-alaninate. Following Lipinski's Rule of Five, Benzyl N-benzyloxycarbonyl-DL-alaninate has 1 hydrogen bond donor(s) and 4 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 Benzyl N-benzyloxycarbonyl-DL-alaninate?
The CAS number of Benzyl N-benzyloxycarbonyl-DL-alaninate is 5513-39-3.
What is the molecular formula of Benzyl N-benzyloxycarbonyl-DL-alaninate?
The molecular formula of Benzyl N-benzyloxycarbonyl-DL-alaninate is C18H19NO4.
What is the molecular weight of Benzyl N-benzyloxycarbonyl-DL-alaninate?
The molecular weight of Benzyl N-benzyloxycarbonyl-DL-alaninate is 313.13 g/mol.
Where can I buy Benzyl N-benzyloxycarbonyl-DL-alaninate?
You can request a quote for Benzyl N-benzyloxycarbonyl-DL-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-benzyloxycarbonyl-DL-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-benzyloxycarbonyl-DL-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.