(1-Oxidopyridin-1-ium-3-yl)-phenylmethanol
TL;DR: (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol (CAS 39585-76-7) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxidopyridin-1-ium-3-yl)-phenylmethanol
Also Known As: (1-oxido-3-pyridinyl)(phenyl)methanol, (1-oxidopyridin-1-ium-3-yl)-phenylmethanol, (1-oxidopyridin-3-yl)(phenyl)methanol, (1-oxidopyridin-5-yl)-phenyl-methanol, 3-(hydroxyphenylmethyl)pyridin-1-ol
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 39585-76-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=C[N+](=CC=C2)[O-])O |
| InChIKey | MPRKOTAWRBGXBQ-UHFFFAOYSA-N |
Product Overview
(1-Oxidopyridin-1-ium-3-yl)-phenylmethanol (CAS 39585-76-7), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: (1-oxidopyridin-1-ium-3-yl)-phenylmethanol.
Chemical Property Profile of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol
Property Insights of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol. With a topological polar surface area (TPSA) of 45.7 Ų, (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol has 1 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 (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol?
The CAS number of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol is 39585-76-7.
What is the molecular formula of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol?
The molecular formula of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol is C12H11NO2.
What is the molecular weight of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol?
The molecular weight of (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol is 201.08 g/mol.
Where can I buy (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol?
You can request a quote for (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxidopyridin-1-ium-3-yl)-phenylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.