TL;DR: (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl (CAS 1049729-23-8) is a chemical compound with molecular formula C10H13BrClNO2S and molecular weight 324.9539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl, 4359AH, (R)-2-((5-Bromothiophen-2-yl)methyl)pyrrolidine-2-carboxylic acid hydrochloride, (2R)-2-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic Acid Hydrochloride, (2R)-2-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
| Molecular Formula | C10H13BrClNO2S |
| Molecular Weight | 324.9539 g/mol |
| XLogP | 2.6817 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.9539 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | C1C[C@@](NC1)(CC2=CC=C(S2)Br)C(=O)O.Cl |
| InChIKey | XUJKCYUPEIQPAK-HNCPQSOCSA-N |
The XLogP value of 2.6817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl. Following Lipinski's Rule of Five, (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl is 1049729-23-8.
The molecular formula of (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl is C10H13BrClNO2S.
The molecular weight of (R)-alpha-(5-bromo-2-thiophenylmethyl)-proline-HCl is 324.9539 g/mol.
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