Histopine
TL;DR: Histopine (CAS 30056-90-7) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1-carboxyethylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: Histopine, n-(1-carboxyethyl)-l-histidine, N(2)-(1-Carboxyethyl)-L-histidine, Nalpha-(1-Carboxyethyl)-L-histidine, L-Histidine, N-(1-carboxyethyl)-, (S)-
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 30056-90-7 |
|---|---|
| SMILES | CC(C(=O)O)N[C@@H](CC1=CN=CN1)C(=O)O |
| InChIKey | KEMGAOPOGGLPBQ-MSZQBOFLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Histopine (CAS 30056-90-7), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: (2S)-2-(1-carboxyethylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of Histopine
Property Insights of Histopine
The XLogP value of -2.7 indicates that Histopine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histopine. Following Lipinski's Rule of Five, Histopine has 4 hydrogen bond donor(s) and 6 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 Histopine?
The CAS number of Histopine is 30056-90-7.
What is the molecular formula of Histopine?
The molecular formula of Histopine is C9H13N3O4.
What is the molecular weight of Histopine?
The molecular weight of Histopine is 227.09 g/mol.
Where can I buy Histopine?
You can request a quote for Histopine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histopine?
Yes, KEHONG BIO provides custom synthesis services for Histopine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.