![4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate structure](/static/products/6966/696615-97-1.webp)
4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate
TL;DR: 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate (CAS 696615-97-1) is a chemical compound with molecular formula C23H17NO4S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]phenyl] 4-methylbenzoate
Also Known As: CBKinase1_008239, CBKinase1_020639, BRD-K96402288-001-01-9, 4-(2-benzoxazol-2-ylthioacetyl)phenyl 4-methylbenzoate, [4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]phenyl] 4-methylbenzoate
| Molecular Formula | C23H17NO4S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 5.33042 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.08783 |
| Heavy Atoms | 29 |
| Complexity | 1130.6947 |
Chemical Identifiers
| CAS Number | 696615-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4O3 |
Product Overview
4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate (CAS 696615-97-1), with molecular formula C23H17NO4S and molecular weight 403.09 g/mol. IUPAC: [4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate
Property Insights of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate
The XLogP value of 5.33042 indicates that 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate. Following Lipinski's Rule of Five, 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate?
The CAS number of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate is 696615-97-1.
What is the molecular formula of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate?
The molecular formula of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate is C23H17NO4S.
What is the molecular weight of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate?
The molecular weight of 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate is 403.09 g/mol.
Where can I buy 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate?
You can request a quote for 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]phenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.