Nnc 220031
TL;DR: Nnc 220031 (CAS 150396-89-7) is a chemical compound with molecular formula C23H25ClFN3O5 and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl N-(1,3-benzodioxol-5-yl)carbamate;hydrochloride
Also Known As: Nnc 220031, Nnc 22-0031, NNC-22-0031, SID:134223122, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-(3-(3,4-methylenedioxyphenylcarbamoyloxy)propyl)piperidine
| Molecular Formula | C23H25ClFN3O5 |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 4.9356 |
| Topological Polar Surface Area | 86.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.14667 |
| Heavy Atoms | 33 |
| Complexity | 1116.6699 |
Chemical Identifiers
| CAS Number | 150396-89-7 |
|---|---|
| SMILES | C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC(=O)NC4=CC5=C(C=C4)OCO5.Cl |
Product Overview
Nnc 220031 (CAS 150396-89-7), with molecular formula C23H25ClFN3O5 and molecular weight 477.15 g/mol. IUPAC: 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl N-(1,3-benzodioxol-5-yl)carbamate;hydrochloride.
Chemical Property Profile of Nnc 220031
Property Insights of Nnc 220031
The XLogP value of 4.9356 indicates that Nnc 220031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc 220031. Following Lipinski's Rule of Five, Nnc 220031 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 Nnc 220031?
The CAS number of Nnc 220031 is 150396-89-7.
What is the molecular formula of Nnc 220031?
The molecular formula of Nnc 220031 is C23H25ClFN3O5.
What is the molecular weight of Nnc 220031?
The molecular weight of Nnc 220031 is 477.15 g/mol.
Where can I buy Nnc 220031?
You can request a quote for Nnc 220031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nnc 220031?
Yes, KEHONG BIO provides custom synthesis services for Nnc 220031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.