2-(4-Aminobutyl)-1,3-propanediol
TL;DR: 2-(4-Aminobutyl)-1,3-propanediol (CAS 1189970-95-3) is a chemical compound with molecular formula C(CCN)CC(CO)CO and molecular weight 147.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-aminobutyl)propane-1,3-diol
Also Known As: 2-(4-aminobutyl)propane-1,3-diol, APD linker, 2-(4-Aminobutyl)-1,3-propanediol, 6-AMINO-2-HYDROXYMETHYL HEXAN-1-OL, Trimethoprim-13C3
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C(CCN)CC(CO)CO |
| Molecular Weight | 147.12593 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 147.12593 Da |
| Heavy Atoms | 10 |
| Complexity | 64.0 |
| SMILES | C(CCN)CC(CO)CO |
| InChIKey | KUZCSLNRDJKKMK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Aminobutyl)-1,3-propanediol
Property Insights of 2-(4-Aminobutyl)-1,3-propanediol
The XLogP value of -0.8 indicates that 2-(4-Aminobutyl)-1,3-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Aminobutyl)-1,3-propanediol. Following Lipinski's Rule of Five, 2-(4-Aminobutyl)-1,3-propanediol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Aminobutyl)-1,3-propanediol?
The CAS number of 2-(4-Aminobutyl)-1,3-propanediol is 1189970-95-3.
What is the molecular formula of 2-(4-Aminobutyl)-1,3-propanediol?
The molecular formula of 2-(4-Aminobutyl)-1,3-propanediol is C(CCN)CC(CO)CO.
What is the molecular weight of 2-(4-Aminobutyl)-1,3-propanediol?
The molecular weight of 2-(4-Aminobutyl)-1,3-propanediol is 147.12593 g/mol.
Where can I buy 2-(4-Aminobutyl)-1,3-propanediol?
You can request a quote for 2-(4-Aminobutyl)-1,3-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Aminobutyl)-1,3-propanediol?
Yes, CoreyChem provides custom synthesis services for 2-(4-Aminobutyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.