5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide
TL;DR: 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide (CAS 724439-25-2) is a chemical compound with molecular formula C14H15ClN2O2S and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
Also Known As: AP-853/42160828, 5-chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide, 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one, 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one
| Molecular Formula | C14H15ClN2O2S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 3.5858 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0543 |
| Heavy Atoms | 20 |
| Complexity | 622.6615 |
Chemical Identifiers
| CAS Number | 724439-25-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CCSC2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide (CAS 724439-25-2), with molecular formula C14H15ClN2O2S and molecular weight 310.05 g/mol. IUPAC: 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one.
Chemical Property Profile of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide
Property Insights of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide
The XLogP value of 3.5858 indicates that 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide 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-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide?
The CAS number of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide is 724439-25-2.
What is the molecular formula of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide?
The molecular formula of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide is C14H15ClN2O2S.
What is the molecular weight of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide?
The molecular weight of 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide is 310.05 g/mol.
Where can I buy 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide?
You can request a quote for 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-benzoxazol-2-yl 3-oxo-3-(1-pyrrolidinyl)propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.