Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate
TL;DR: Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate (CAS 3479-52-5) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamate
Also Known As: Z-Thr-NH2, Cbz-L-threoninamide, Z-L-threoninamide, Cbz-Thr-NH2, Z-Thr-NH
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 0.1475 |
| Topological Polar Surface Area | 101.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 405.79825 |
Chemical Identifiers
| CAS Number | 3479-52-5 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N)NC(=O)OCC1=CC=CC=C1)O |
Product Overview
Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate (CAS 3479-52-5), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: benzyl N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate
Property Insights of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate
The XLogP value of 0.1475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate. The TPSA of 101.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate. Following Lipinski's Rule of Five, Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate has 3 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 Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate?
The CAS number of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate is 3479-52-5.
What is the molecular formula of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate?
The molecular formula of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate is C12H16N2O4.
What is the molecular weight of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate?
The molecular weight of Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate is 252.11 g/mol.
Where can I buy Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate?
You can request a quote for Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl N-((1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.