![(2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid structure](/static/products/959/959577-82-3.png)
(2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 959577-82-3) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-(1-benzothiophen-3-ylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, Boc-Pro{4-(3-BztMe)}-OH, 6641AC, Boc-(R)-gamma-(3-benzothienyl-methyl)-L-proline, Boc-(R)--(3-benzothienyl-methyl)-L-proline
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 4.154 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 792.0632 |
Chemical Identifiers
| CAS Number | 959577-82-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CSC3=CC=CC=C32 |
Product Overview
(2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 959577-82-3), with molecular formula C19H23NO4S and molecular weight 361.13 g/mol. IUPAC: (2S,4R)-4-(1-benzothiophen-3-ylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 4.154 indicates that (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid 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 (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is 959577-82-3.
What is the molecular formula of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is C19H23NO4S.
What is the molecular weight of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is 361.13 g/mol.
Where can I buy (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.