2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester
TL;DR: 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester (CAS 59859-77-7) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: N-Cbz-O-t-butyl-L-serine, N-alpha-Carbobenzoxy-L-serine t-butyl ester, tert-Butyl ((benzyloxy)carbonyl)-L-serinate, tert-butyl 2-(benzyloxycarbonylamino)-3-hydroxy-propanoate, tert-butyl 2-{[(benzyloxy)carbonyl]amino}-3-hydroxypropanoate
| Molecular Formula | C15H21NO5 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.14197 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 59859-77-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CO)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | KEGGPKIRWQIHQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester (CAS 59859-77-7), with molecular formula C15H21NO5 and molecular weight 295.14 g/mol. IUPAC: tert-butyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester
Property Insights of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester. Following Lipinski's Rule of Five, 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester 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 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester?
The CAS number of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester is 59859-77-7.
What is the molecular formula of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester?
The molecular formula of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester is C15H21NO5.
What is the molecular weight of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester?
The molecular weight of 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester is 295.14 g/mol.
Where can I buy 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester?
You can request a quote for 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyloxycarbonylamino-3-hydroxy-propionic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.