异毛果芸香酸
TL;DR: 异毛果芸香酸 (CAS 34350-99-7) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异毛果芸香酸
(2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
Also Known As: Isopilocarpic acid, Isopilocarpinate, Isopilocarpinic acid, Pilocarpic acid, 1,2-Seco-3-isopilocarpin-2-oic acid
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 0.6819 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 348.7538 |
Chemical Identifiers
| CAS Number | 34350-99-7 |
|---|---|
| SMILES | CC[C@H]([C@@H](CC1=CN=CN1C)CO)C(=O)O |
Product Overview
异毛果芸香酸 (CAS 34350-99-7), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: (2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid.
Chemical Property Profile of 异毛果芸香酸
Property Insights of 异毛果芸香酸
The XLogP value of 0.6819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异毛果芸香酸. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 异毛果芸香酸. Following Lipinski's Rule of Five, 异毛果芸香酸 has 2 hydrogen bond donor(s) and 3 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 异毛果芸香酸?
The CAS number of 异毛果芸香酸 is 34350-99-7.
What is the molecular formula of 异毛果芸香酸?
The molecular formula of 异毛果芸香酸 is C11H18N2O3.
What is the molecular weight of 异毛果芸香酸?
The molecular weight of 异毛果芸香酸 is 226.13 g/mol.
Where can I buy 异毛果芸香酸?
You can request a quote for 异毛果芸香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异毛果芸香酸?
Yes, KEHONG BIO provides custom synthesis services for 异毛果芸香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.