3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
TL;DR: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide (CAS 694486-46-9) is a chemical compound with molecular formula C16H13FN2O2S and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
Also Known As: CBKinase1_004570, CBKinase1_016970, 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide, AP-853/42160933, BRD-K24236842-001-01-7
| Molecular Formula | C16H13FN2O2S |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.0878 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06818 |
| Heavy Atoms | 22 |
| Complexity | 753.19995 |
Chemical Identifiers
| CAS Number | 694486-46-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)F |
Product Overview
3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide (CAS 694486-46-9), with molecular formula C16H13FN2O2S and molecular weight 316.07 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide.
Chemical Property Profile of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
Property Insights of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
The XLogP value of 4.0878 indicates that 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide 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-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The CAS number of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide is 694486-46-9.
What is the molecular formula of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The molecular formula of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide is C16H13FN2O2S.
What is the molecular weight of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
The molecular weight of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide is 316.07 g/mol.
Where can I buy 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
You can request a quote for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.