![3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol structure](/static/products/970/97027-21-9.png)
3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol
TL;DR: 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol (CAS 97027-21-9) is a chemical compound with molecular formula C13H9ClN2O2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-ol
Also Known As: 3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol, 3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-ol, 3-(5-(Chloromethyl)-1,3,4-oxadiazol-2-yl)naphthalen-2-ol, (3Z)-3-[5-(chloromethyl)-3H-1,3,4-oxadiazol-2-ylidene]naphthalen-2-one, 3-[5-(chloromethyl)-3H-1,3,4-oxadiazol-2-ylidene]naphthalen-2-one
| Molecular Formula | C13H9ClN2O2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.03525 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 97027-21-9 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C3=NN=C(O3)CCl)O |
| InChIKey | AXTAPNAJIORRIB-UHFFFAOYSA-N |
Product Overview
3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol (CAS 97027-21-9), with molecular formula C13H9ClN2O2 and molecular weight 260.04 g/mol. IUPAC: 3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-ol.
Chemical Property Profile of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol
Property Insights of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol. With a topological polar surface area (TPSA) of 59.2 Ų, 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol has 1 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 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol?
The CAS number of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol is 97027-21-9.
What is the molecular formula of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol?
The molecular formula of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol is C13H9ClN2O2.
What is the molecular weight of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol?
The molecular weight of 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol is 260.04 g/mol.
Where can I buy 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol?
You can request a quote for 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]-2-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.