histidinal
TL;DR: histidinal (CAS 23784-15-8) is a chemical compound with molecular formula C6H9N3O and molecular weight 139.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
histidinal
2-amino-3-(1H-imidazol-5-yl)propanal
Also Known As: histidinal, Histidinaldehyde, L-Histidinaldehyde, omega-formyl histamine, BAY-o-6997
| Molecular Formula | C6H9N3O |
|---|---|
| Molecular Weight | 139.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.07455 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 23784-15-8 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C=O)N |
| InChIKey | VYOIELONWKIZJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
histidinal (CAS 23784-15-8), with molecular formula C6H9N3O and molecular weight 139.07 g/mol. IUPAC: 2-amino-3-(1H-imidazol-5-yl)propanal.
Chemical Property Profile of histidinal
Property Insights of histidinal
The XLogP value of -1.0 indicates that histidinal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for histidinal. Following Lipinski's Rule of Five, BAY-o-6997 has 2 hydrogen bond donor(s) and 3 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 BAY-o-6997?
The CAS number of BAY-o-6997 is 23784-15-8.
What is the molecular formula of BAY-o-6997?
The molecular formula of BAY-o-6997 is C6H9N3O.
What is the molecular weight of BAY-o-6997?
The molecular weight of BAY-o-6997 is 139.07 g/mol.
Where can I buy BAY-o-6997?
You can request a quote for BAY-o-6997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAY-o-6997?
Yes, KEHONG BIO provides custom synthesis services for BAY-o-6997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.