Ro 2-1940
TL;DR: Ro 2-1940 (CAS 66967-86-0) is a chemical compound with molecular formula C18H23IN4O2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazanium iodide
Also Known As: Ro 2-1940, (3-Hydroxy-4-(phenylazo)phenyl)trimethylammonium iodide dimethylcarbamate (ester), Ammonium, (3-hydroxy-4-(phenylazo)phenyl)trimethyl-, iodide, dimethylcarbamate (ester), [3-(Dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazaniumiodide, [3-(dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazanium iodide
| Molecular Formula | C18H23IN4O2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.08658 |
| Heavy Atoms | 25 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 66967-86-0 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=CC=C2.[I-] |
| InChIKey | JSSRQPSYZNFTTQ-UHFFFAOYSA-M |
Product Overview
Ro 2-1940 (CAS 66967-86-0), with molecular formula C18H23IN4O2 and molecular weight 454.09 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazanium iodide.
Chemical Property Profile of Ro 2-1940
Property Insights of Ro 2-1940
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 2-1940. With a topological polar surface area (TPSA) of 54.3 Ų, Ro 2-1940 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 2-1940 has 0 hydrogen bond donor(s) and 5 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 Ro 2-1940?
The CAS number of Ro 2-1940 is 66967-86-0.
What is the molecular formula of Ro 2-1940?
The molecular formula of Ro 2-1940 is C18H23IN4O2.
What is the molecular weight of Ro 2-1940?
The molecular weight of Ro 2-1940 is 454.09 g/mol.
Where can I buy Ro 2-1940?
You can request a quote for Ro 2-1940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 2-1940?
Yes, KEHONG BIO provides custom synthesis services for Ro 2-1940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.