3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one
TL;DR: 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one (CAS 38464-22-1) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-piperidin-1-ylchromen-2-one
Also Known As: 3-Nitro-4-piperidinocoumarin, COUMARIN, 3-NITRO-4-PIPERIDINO-, 3-nitro-4-piperidylchromen-2-one, 3-nitro-4-(piperidin-1-yl)-2H-chromen-2-one, 3-Nitro-4-piperidin-1-yl-chromen-2-one
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 38464-22-1 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | DMELURZBMAWHKC-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one (CAS 38464-22-1), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: 3-nitro-4-piperidin-1-ylchromen-2-one.
Chemical Property Profile of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one
Property Insights of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one has 0 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 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one?
The CAS number of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one is 38464-22-1.
What is the molecular formula of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one?
The molecular formula of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one is C14H14N2O4.
What is the molecular weight of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one?
The molecular weight of 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one is 274.10 g/mol.
Where can I buy 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one?
You can request a quote for 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(1-piperidinyl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.