3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one
TL;DR: 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one (CAS 113184-46-6) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3'-(3-nitrophenyl)spiro[3H-naphthalene-2,2'-oxirane]-1-one
Also Known As: 3,4-DIHYDRO-4,4-DIMETHYL3-(3NITROPHENYL)SPIRO(NAPHTHALENE-2(1H)2'-OXIRANE)1ONE, 4,4-dimethyl-3'-(3-nitrophenyl)spiro[3H-naphthalene-2,2'-oxirane]-1-one, 4,4-dimethyl-3'-(3-nitrophenyl)-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one, 660-386-7, RefChem:486170
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 113184-46-6 |
|---|---|
| SMILES | CC1(CC2(C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C41)C |
| InChIKey | IDDOVPNRRHNRRQ-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one (CAS 113184-46-6), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 4,4-dimethyl-3'-(3-nitrophenyl)spiro[3H-naphthalene-2,2'-oxirane]-1-one.
Chemical Property Profile of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one
Property Insights of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one
The XLogP value of 3.8 indicates that 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one. Following Lipinski's Rule of Five, 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one has 0 hydrogen bond donor(s) and 4 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 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one?
The CAS number of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one is 113184-46-6.
What is the molecular formula of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one?
The molecular formula of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one is C19H17NO4.
What is the molecular weight of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one?
The molecular weight of 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one is 323.12 g/mol.
Where can I buy 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one?
You can request a quote for 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-4,4-dimethyl3-(3nitrophenyl)spiro(naphthalene-2(1H)2'-oxirane)1one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.