![5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole structure](/static/products/3387/338750-71-3.webp)
5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole
TL;DR: 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole (CAS 338750-71-3) is a chemical compound with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole
Also Known As: 5-chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole, 5-chloro-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole, 5-chloro-2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzoxazole, 5-chloro-2-(3-pyridinylmethylthio)-1,3-benzoxazole, 5-chloro-2-(3-pyridylmethylthio)-1,3-benzoxazole
| Molecular Formula | C13H9ClN2OS |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 4.1685 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.01242 |
| Heavy Atoms | 18 |
| Complexity | 669.0678 |
Chemical Identifiers
| CAS Number | 338750-71-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole (CAS 338750-71-3), with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol. IUPAC: 5-chloro-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole
Property Insights of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole
The XLogP value of 4.1685 indicates that 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole has 0 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 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole?
The CAS number of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole is 338750-71-3.
What is the molecular formula of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole?
The molecular formula of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole is C13H9ClN2OS.
What is the molecular weight of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole?
The molecular weight of 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole is 276.01 g/mol.
Where can I buy 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole?
You can request a quote for 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-[(3-pyridinylmethyl)sulfanyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.