4-Hydroxybutyl 3-aminobut-2-enoate
TL;DR: 4-Hydroxybutyl 3-aminobut-2-enoate (CAS 85237-81-6) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl 3-aminobut-2-enoate
Also Known As: 4-Hydroxybutyl 3-amino-2-butenoate, 4-hydroxybutyl 3-aminobut-2-enoate, EINECS 286-443-2, 2-Butenoic acid,3-amino-, 4-hydroxybutyl ester, 2-Butenoic acid, 3-amino-, 4-hydroxybutyl ester
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.1646 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 161.68591 |
Chemical Identifiers
| CAS Number | 85237-81-6 |
|---|---|
| SMILES | CC(=CC(=O)OCCCCO)N |
Product Overview
4-Hydroxybutyl 3-aminobut-2-enoate (CAS 85237-81-6), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: 4-hydroxybutyl 3-aminobut-2-enoate.
Chemical Property Profile of 4-Hydroxybutyl 3-aminobut-2-enoate
Property Insights of 4-Hydroxybutyl 3-aminobut-2-enoate
The XLogP value of 0.1646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybutyl 3-aminobut-2-enoate. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybutyl 3-aminobut-2-enoate. Following Lipinski's Rule of Five, 4-Hydroxybutyl 3-aminobut-2-enoate has 2 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-Hydroxybutyl 3-aminobut-2-enoate?
The CAS number of 4-Hydroxybutyl 3-aminobut-2-enoate is 85237-81-6.
What is the molecular formula of 4-Hydroxybutyl 3-aminobut-2-enoate?
The molecular formula of 4-Hydroxybutyl 3-aminobut-2-enoate is C8H15NO3.
What is the molecular weight of 4-Hydroxybutyl 3-aminobut-2-enoate?
The molecular weight of 4-Hydroxybutyl 3-aminobut-2-enoate is 173.11 g/mol.
Where can I buy 4-Hydroxybutyl 3-aminobut-2-enoate?
You can request a quote for 4-Hydroxybutyl 3-aminobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybutyl 3-aminobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybutyl 3-aminobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.