4-(4-氨基丁酰氨基)丁酸
TL;DR: 4-(4-氨基丁酰氨基)丁酸 (CAS 98998-63-1) is a chemical compound with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-氨基丁酰氨基)丁酸
4-(4-aminobutanoylamino)butanoic acid
Also Known As: 4-(4-aminobutanoylamino)butanoic acid, 4-(4-Aminobutanamido)butanoic acid, Alendronate Sodium Impurity 10, 4-[(4-aminobutanoyl)amino]butanoic acid
| Molecular Formula | C8H16N2O3 |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.11609 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 98998-63-1 |
|---|---|
| SMILES | C(CC(=O)NCCCC(=O)O)CN |
| InChIKey | SJFMZANOVDLMFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-氨基丁酰氨基)丁酸 (CAS 98998-63-1), with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol. IUPAC: 4-(4-aminobutanoylamino)butanoic acid.
Chemical Property Profile of 4-(4-氨基丁酰氨基)丁酸
Property Insights of 4-(4-氨基丁酰氨基)丁酸
The XLogP value of -3.5 indicates that 4-(4-氨基丁酰氨基)丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-氨基丁酰氨基)丁酸. Following Lipinski's Rule of Five, 4-(4-氨基丁酰氨基)丁酸 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 4-(4-氨基丁酰氨基)丁酸?
The CAS number of 4-(4-氨基丁酰氨基)丁酸 is 98998-63-1.
What is the molecular formula of 4-(4-氨基丁酰氨基)丁酸?
The molecular formula of 4-(4-氨基丁酰氨基)丁酸 is C8H16N2O3.
What is the molecular weight of 4-(4-氨基丁酰氨基)丁酸?
The molecular weight of 4-(4-氨基丁酰氨基)丁酸 is 188.12 g/mol.
Where can I buy 4-(4-氨基丁酰氨基)丁酸?
You can request a quote for 4-(4-氨基丁酰氨基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-氨基丁酰氨基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-氨基丁酰氨基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.