Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline
TL;DR: Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline (CAS 1217620-55-7) is a chemical compound with molecular formula C15H20BrNO4S and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(5-bromothiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline, (2S)-2-[(5-bromothiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, (S)-2-((5-Bromothiophen-2-yl)methyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, N-t-Butoxycarbonyl-(S)-alpha-(5-Bromo-2-thienylmethyl)proline, (2S)-2-[(5-bromo-2-thienyl)methyl]-1-tert-butoxycarbonyl-proline
| Molecular Formula | C15H20BrNO4S |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 3.9074 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.02963 |
| Heavy Atoms | 22 |
| Complexity | 580.3427 |
Chemical Identifiers
| CAS Number | 1217620-55-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=C(S2)Br)C(=O)O |
Product Overview
Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline (CAS 1217620-55-7), with molecular formula C15H20BrNO4S and molecular weight 389.03 g/mol. IUPAC: (2S)-2-[(5-bromothiophen-2-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline
Property Insights of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline
The XLogP value of 3.9074 indicates that Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline 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 Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline. Following Lipinski's Rule of Five, Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline 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 Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline?
The CAS number of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline is 1217620-55-7.
What is the molecular formula of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline?
The molecular formula of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline is C15H20BrNO4S.
What is the molecular weight of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline?
The molecular weight of Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline is 389.03 g/mol.
Where can I buy Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline?
You can request a quote for Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-alpha-(5-bromo-2-thiophenylmethyl)-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.