Histidine, N-benzyl-
TL;DR: Histidine, N-benzyl- (CAS 17451-61-5) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: Histidine, N-benzyl-, N-Benzylhistidine #, 2-(benzylamino)-3-(1H-imidazol-4-yl)propanoic acid, 2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid, (S)-2-(Benzylamino)-3-(1H-imidazol-4-yl)propanoic acid
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 17451-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(CC2=CN=CN2)C(=O)O |
| InChIKey | FOYXZVHDLXZETB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Histidine, N-benzyl- (CAS 17451-61-5), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of Histidine, N-benzyl-
Property Insights of Histidine, N-benzyl-
The XLogP value of -1.2 indicates that Histidine, N-benzyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine, N-benzyl-. Following Lipinski's Rule of Five, Histidine, N-benzyl- has 3 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 Histidine, N-benzyl-?
The CAS number of Histidine, N-benzyl- is 17451-61-5.
What is the molecular formula of Histidine, N-benzyl-?
The molecular formula of Histidine, N-benzyl- is C13H15N3O2.
What is the molecular weight of Histidine, N-benzyl-?
The molecular weight of Histidine, N-benzyl- is 245.12 g/mol.
Where can I buy Histidine, N-benzyl-?
You can request a quote for Histidine, N-benzyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine, N-benzyl-?
Yes, KEHONG BIO provides custom synthesis services for Histidine, N-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.