Ro 31-6930
TL;DR: Ro 31-6930 (CAS 120280-37-7) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromene-6-carbonitrile
Also Known As: Ro-31-6930, Ro 31-6930, SID:134224979, 2-(6-cyano-2,2-dimethyl-2H-1-benzopyran-4-yl)pyridine 1-oxide, 2-(6-cyano-2,2-dimethyl-2H-1-benzopyran-4-yl)pyridine N-oxide
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.79438 |
| Topological Polar Surface Area | 59.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 785.6174 |
Chemical Identifiers
| CAS Number | 120280-37-7 |
|---|---|
| SMILES | CC1(C=C(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3[O-])C |
Product Overview
Ro 31-6930 (CAS 120280-37-7), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromene-6-carbonitrile.
Chemical Property Profile of Ro 31-6930
Property Insights of Ro 31-6930
The XLogP value of 2.79438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 31-6930. With a topological polar surface area (TPSA) of 59.96 Ų, Ro 31-6930 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 31-6930 has 0 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 Ro 31-6930?
The CAS number of Ro 31-6930 is 120280-37-7.
What is the molecular formula of Ro 31-6930?
The molecular formula of Ro 31-6930 is C17H14N2O2.
What is the molecular weight of Ro 31-6930?
The molecular weight of Ro 31-6930 is 278.11 g/mol.
Where can I buy Ro 31-6930?
You can request a quote for Ro 31-6930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 31-6930?
Yes, KEHONG BIO provides custom synthesis services for Ro 31-6930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.