1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide
TL;DR: 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide (CAS 107088-83-5) is a chemical compound with molecular formula C23H27N5O3 and molecular weight 421.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide, 4-(3-(8H-Dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-1-piperazineethanol N-oxide, 2-{4-[3-(8H-Dibenzo[b,f][1,2,5]oxadiazolo[3,4-d]azepin-8-yl)propyl]-1-oxo-1lambda~5~-piperazin-1-yl}ethan-1-ol
| Molecular Formula | C23H27N5O3 |
|---|---|
| Molecular Weight | 421.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.2114 |
| Heavy Atoms | 31 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 107088-83-5 |
|---|---|
| SMILES | C1C[N+](CCN1CCCN2C3=CC=CC=C3C4=NON=C4C5=CC=CC=C52)(CCO)[O-] |
| InChIKey | SDAHXIWSPZVWAA-UHFFFAOYSA-N |
Product Overview
1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide (CAS 107088-83-5), with molecular formula C23H27N5O3 and molecular weight 421.21 g/mol. IUPAC: 2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol.
Chemical Property Profile of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide
Property Insights of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide has 1 hydrogen bond donor(s) and 7 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 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide?
The CAS number of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide is 107088-83-5.
What is the molecular formula of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide?
The molecular formula of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide is C23H27N5O3.
What is the molecular weight of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide?
The molecular weight of 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide is 421.21 g/mol.
Where can I buy 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide?
You can request a quote for 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.