(3-Isocyanophenyl)methanol
TL;DR: (3-Isocyanophenyl)methanol (CAS 165459-72-3) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-isocyanophenyl)methanol
Also Known As: (3-isocyanophenyl)methanol, Benzenemethanol, 3-isocyano-
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 24.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 165459-72-3 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC(=C1)CO |
| InChIKey | XIAAWOFRDQLMGN-UHFFFAOYSA-N |
Product Overview
(3-Isocyanophenyl)methanol (CAS 165459-72-3), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: (3-isocyanophenyl)methanol.
Chemical Property Profile of (3-Isocyanophenyl)methanol
Property Insights of (3-Isocyanophenyl)methanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Isocyanophenyl)methanol. With a topological polar surface area (TPSA) of 24.6 Ų, (3-Isocyanophenyl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Isocyanophenyl)methanol 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 (3-Isocyanophenyl)methanol?
The CAS number of (3-Isocyanophenyl)methanol is 165459-72-3.
What is the molecular formula of (3-Isocyanophenyl)methanol?
The molecular formula of (3-Isocyanophenyl)methanol is C8H7NO.
What is the molecular weight of (3-Isocyanophenyl)methanol?
The molecular weight of (3-Isocyanophenyl)methanol is 133.05 g/mol.
Where can I buy (3-Isocyanophenyl)methanol?
You can request a quote for (3-Isocyanophenyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Isocyanophenyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (3-Isocyanophenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.