TL;DR: H-D-His(bzl)-OH (CAS 103772-40-3) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-amino-3-(1-benzylimidazol-4-yl)propanoic acid
Also Known As: H-D-HIS(BZL)-OH, nim-benzyl-d-histidine, 1-(Phenylmethyl)-D-histidine, (2R)-2-amino-3-(1-benzylimidazol-4-yl)propanoic acid, (2R)-2-amino-3-(1-benzyl-1H-imidazol-4-yl)propanoic acid
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.11642 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 Da |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C(N=C2)C[C@H](C(=O)O)N |
| InChIKey | NMXSWQMJOZUQKY-GFCCVEGCSA-N |
The XLogP value of -1.0 indicates that H-D-His(bzl)-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for H-D-His(bzl)-OH. Following Lipinski's Rule of Five, H-D-His(bzl)-OH has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of H-D-His(bzl)-OH is 103772-40-3.
The molecular formula of H-D-His(bzl)-OH is C13H15N3O2.
The molecular weight of H-D-His(bzl)-OH is 245.11642 g/mol.
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