2-Carb me-diq
TL;DR: 2-Carb me-diq (CAS 79611-85-1) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate
Also Known As: 2-Carb me-diq, Cui xing an, KST-1A8278, (6,7-dihydroxy-3,4-dihydroisoquinolinium-2-yl)acetate, 2-Carboxymethyl-6,7-dihydroxy-3,4-dihydroisoquinolinium
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 79611-85-1 |
|---|---|
| SMILES | C1C[N+](=CC2=CC(=C(C=C21)O)O)CC(=O)[O-] |
| InChIKey | ARAGDSLBYBYLRH-UHFFFAOYSA-N |
Product Overview
2-Carb me-diq (CAS 79611-85-1), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate.
Chemical Property Profile of 2-Carb me-diq
Property Insights of 2-Carb me-diq
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carb me-diq. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carb me-diq. Following Lipinski's Rule of Five, 2-Carb me-diq 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 2-Carb me-diq?
The CAS number of 2-Carb me-diq is 79611-85-1.
What is the molecular formula of 2-Carb me-diq?
The molecular formula of 2-Carb me-diq is C11H11NO4.
What is the molecular weight of 2-Carb me-diq?
The molecular weight of 2-Carb me-diq is 221.07 g/mol.
Where can I buy 2-Carb me-diq?
You can request a quote for 2-Carb me-diq directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carb me-diq?
Yes, KEHONG BIO provides custom synthesis services for 2-Carb me-diq and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.