章鱼碱
TL;DR: 章鱼碱 (CAS 34522-32-2) is a chemical compound with molecular formula C9H18N4O4 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
章鱼碱
2-(1-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Octopine, probucol, (+)-Octopine, Tris(4-Nitrophenyl)Phosphate, N'-(1-Carboxyethyl)arginine
| Molecular Formula | C9H18N4O4 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.13281 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 34522-32-2 |
|---|---|
| SMILES | CC(C(=O)O)NC(CCCN=C(N)N)C(=O)O |
| InChIKey | IMXSCCDUAFEIOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
章鱼碱 (CAS 34522-32-2), with molecular formula C9H18N4O4 and molecular weight 246.13 g/mol. IUPAC: 2-(1-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of 章鱼碱
Property Insights of 章鱼碱
The XLogP value of -3.7 indicates that 章鱼碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 章鱼碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 章鱼碱 has 5 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 章鱼碱?
The CAS number of 章鱼碱 is 34522-32-2.
What is the molecular formula of 章鱼碱?
The molecular formula of 章鱼碱 is C9H18N4O4.
What is the molecular weight of 章鱼碱?
The molecular weight of 章鱼碱 is 246.13 g/mol.
Where can I buy 章鱼碱?
You can request a quote for 章鱼碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 章鱼碱?
Yes, KEHONG BIO provides custom synthesis services for 章鱼碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.