水苏碱
TL;DR: 水苏碱 (CAS 471-87-4) 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.
水苏碱
1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Also Known As: stachydrine, proline betaine, L-proline betaine, N, inner salt, 1,1-dimethylpyrrolidin-1-ium-2-carboxylate
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 471-87-4 |
|---|---|
| SMILES | C[N+]1(CCCC1C(=O)[O-])C |
| InChIKey | CMUNUTVVOOHQPW-UHFFFAOYSA-N |
Product Overview
水苏碱 (CAS 471-87-4), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: 1,1-dimethylpyrrolidin-1-ium-2-carboxylate.
Chemical Property Profile of 水苏碱
Property Insights of 水苏碱
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水苏碱. With a topological polar surface area (TPSA) of 40.1 Ų, 水苏碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水苏碱 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 水苏碱?
The CAS number of 水苏碱 is 471-87-4.
What is the molecular formula of 水苏碱?
The molecular formula of 水苏碱 is C7H13NO2.
What is the molecular weight of 水苏碱?
The molecular weight of 水苏碱 is 143.09 g/mol.
Where can I buy 水苏碱?
You can request a quote for 水苏碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水苏碱?
Yes, KEHONG BIO provides custom synthesis services for 水苏碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.