2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- (CAS 99552-29-1) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylpiperidin-1-yl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-, 3-((4-Methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-2(3H)-benzoxazolone, 6-(4-Nitrobenzoyl)-3-[(4-methylpiperidino)methyl]-benzoxazol-2(3H)-one, 3-[(4-Methylpiperidin-1-yl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2(3H)-one, 3-[(4-methylpiperidin-1-yl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 3.4231 |
| Topological Polar Surface Area | 98.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1121.4192 |
Chemical Identifiers
| CAS Number | 99552-29-1 |
|---|---|
| SMILES | CC1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC2=O |
Product Overview
2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- (CAS 99552-29-1), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: 3-[(4-methylpiperidin-1-yl)methyl]-6-(4-nitrobenzoyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-
The XLogP value of 3.4231 indicates that 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- has 0 hydrogen bond donor(s) and 6 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 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- is 99552-29-1.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- is C21H21N3O5.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- is 395.15 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-((4-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.