Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
TL;DR: Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 252770-08-4) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Also Known As: 3-aMino-4-(hydroxyMethyl), benzyl cis-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate, Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate, (3S,4S)-3-Amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylic acid phenylmethyl ester, BENZYL CIS-3-AMINO-4-(HYDROXYMETHYL)-1-PYRROLIDINECARBOXYLATE
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 0.5746 |
| Topological Polar Surface Area | 75.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 396.48264 |
Chemical Identifiers
| CAS Number | 252770-08-4 |
|---|---|
| SMILES | C1[C@@H]([C@@H](CN1C(=O)OCC2=CC=CC=C2)N)CO |
Product Overview
Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 252770-08-4), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Property Insights of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
The XLogP value of 0.5746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate. The TPSA of 75.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate has 2 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 (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The CAS number of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate is 252770-08-4.
What is the molecular formula of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The molecular formula of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate is C13H18N2O3.
What is the molecular weight of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
The molecular weight of Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate is 250.13 g/mol.
Where can I buy Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
You can request a quote for Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (3S,4S)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.