3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐
TL;DR: 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 (CAS 927-89-9) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐
4-(trimethylazaniumyl)but-2-enoate
Also Known As: Crotonobetaine, Crotonic acid betaine, 4-(trimethylammonio)but-2-enoate, 4-(trimethylazaniumyl)but-2-enoate, 2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, inner salt
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 927-89-9 |
|---|---|
| SMILES | C[N+](C)(C)CC=CC(=O)[O-] |
| InChIKey | GUYHPGUANSLONG-UHFFFAOYSA-N |
Product Overview
3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 (CAS 927-89-9), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: 4-(trimethylazaniumyl)but-2-enoate.
Chemical Property Profile of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐
Property Insights of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐. With a topological polar surface area (TPSA) of 40.1 Ų, 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 has 0 hydrogen bond donor(s) and 2 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-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐?
The CAS number of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 is 927-89-9.
What is the molecular formula of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐?
The molecular formula of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 is C7H13NO2.
What is the molecular weight of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐?
The molecular weight of 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 is 143.09 g/mol.
Where can I buy 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐?
You can request a quote for 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐?
Yes, KEHONG BIO provides custom synthesis services for 3-羧基-N,N,N-三甲基丙-2-烯-1-铵内盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.