3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸
TL;DR: 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 (CAS 5875-50-3) is a chemical compound with molecular formula C9H18NO8P and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸
3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid
Also Known As: Phosphopantothenic acid, Phosphopantothenoate, phosphopantothenicacid, 4'-phosphopantothenate, 4'-Phosphopantothenic acid
| Molecular Formula | C9H18NO8P |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.077 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5875-50-3 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O |
| InChIKey | XHFVGHPGDLDEQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 (CAS 5875-50-3), with molecular formula C9H18NO8P and molecular weight 299.08 g/mol. IUPAC: 3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid.
Chemical Property Profile of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸
Property Insights of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸
The XLogP value of -2.2 indicates that 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 has 5 hydrogen bond donor(s) and 8 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 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸?
The CAS number of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 is 5875-50-3.
What is the molecular formula of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸?
The molecular formula of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 is C9H18NO8P.
What is the molecular weight of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸?
The molecular weight of 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 is 299.08 g/mol.
Where can I buy 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸?
You can request a quote for 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-羟基-3,3-二甲基-4-膦酰氧丁酰)氨基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.