![3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one structure](/static/products/848/848085-32-5.png)
3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one
TL;DR: 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one (CAS 848085-32-5) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-chloro-1,3-benzoxazol-2-one
Also Known As: 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one, VU0582838-2, 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-chloro-1,3-benzoxazol-2-one, 1-[3-(5-chloro-2(3h)-benzoxazolon-3-yl)propanoyl]-4-benzylpiperazine, 3-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-5-chloro-benzooxazol-2-one
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.9824 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.13498 |
| Heavy Atoms | 28 |
| Complexity | 1020.3019 |
Chemical Identifiers
| CAS Number | 848085-32-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=CC(=C4)Cl)OC3=O |
Product Overview
3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one (CAS 848085-32-5), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-chloro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one
Property Insights of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one
The XLogP value of 2.9824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one. With a topological polar surface area (TPSA) of 58.69 Ų, 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one 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 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one?
The CAS number of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one is 848085-32-5.
What is the molecular formula of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one?
The molecular formula of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one is C21H22ClN3O3.
What is the molecular weight of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one?
The molecular weight of 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one is 399.13 g/mol.
Where can I buy 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one?
You can request a quote for 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-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-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-5-chlorobenzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.