5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone
TL;DR: 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone (CAS 14733-75-6) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
Also Known As: 2-azidocarbonyl-5-nitrothiophene, 2-BENZOXAZOLINONE, 5-CHLORO-3-(3-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)PROPYL)-, 5-chloro-3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one, 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-benzoxazolinone, 5-Chloro-3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]benzoxazol-2(3H)-one
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 14733-75-6 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C3=C(C=CC(=C3)Cl)OC2=O)CCO |
| InChIKey | XTDOOWXLTBAVKL-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone (CAS 14733-75-6), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: 5-chloro-3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone
Property Insights of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 56.3 Ų, 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone has 1 hydrogen bond donor(s) and 5 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-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone?
The CAS number of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone is 14733-75-6.
What is the molecular formula of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone?
The molecular formula of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone is C16H22ClN3O3.
What is the molecular weight of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone?
The molecular weight of 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone is 339.13 g/mol.
Where can I buy 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone?
You can request a quote for 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.