![3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one structure](/static/products/247/247181-62-0.png)
3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one
TL;DR: 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one (CAS 247181-62-0) is a chemical compound with molecular formula C14H10FNO2S and molecular weight 275.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)sulfanylmethyl]-1,3-benzoxazol-2-one
Also Known As: 3-(((4-fluorophenyl)thio)methyl)benzo[d]oxazol-2(3H)-one, 3-[(4-fluorophenyl)sulfanylmethyl]-1,3-benzoxazol-2-one, 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C14H10FNO2S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 3.4834 |
| Topological Polar Surface Area | 35.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.04163 |
| Heavy Atoms | 19 |
| Complexity | 760.96204 |
Chemical Identifiers
| CAS Number | 247181-62-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CSC3=CC=C(C=C3)F |
Product Overview
3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one (CAS 247181-62-0), with molecular formula C14H10FNO2S and molecular weight 275.04 g/mol. IUPAC: 3-[(4-fluorophenyl)sulfanylmethyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one
Property Insights of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.4834 indicates that 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.14 Ų, 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one 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 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one is 247181-62-0.
What is the molecular formula of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one is C14H10FNO2S.
What is the molecular weight of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one is 275.04 g/mol.
Where can I buy 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-fluorophenyl)sulfanyl]methyl}-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.