4a-Nitrodecahydronaphthalene
TL;DR: 4a-Nitrodecahydronaphthalene (CAS 92575-55-8) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-nitro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Also Known As: 4a-nitrodecahydronaphthalene, 4a-nitro-decahydro-naphthalene, Naphthalene,decahydro-4a-nitro-, 8a-nitro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 92575-55-8 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)[N+](=O)[O-] |
| InChIKey | PUZUCKXJGOAWQQ-UHFFFAOYSA-N |
Product Overview
4a-Nitrodecahydronaphthalene (CAS 92575-55-8), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 8a-nitro-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
Chemical Property Profile of 4a-Nitrodecahydronaphthalene
Property Insights of 4a-Nitrodecahydronaphthalene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Nitrodecahydronaphthalene. With a topological polar surface area (TPSA) of 45.8 Ų, 4a-Nitrodecahydronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Nitrodecahydronaphthalene has 0 hydrogen bond donor(s) and 2 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 4a-Nitrodecahydronaphthalene?
The CAS number of 4a-Nitrodecahydronaphthalene is 92575-55-8.
What is the molecular formula of 4a-Nitrodecahydronaphthalene?
The molecular formula of 4a-Nitrodecahydronaphthalene is C10H17NO2.
What is the molecular weight of 4a-Nitrodecahydronaphthalene?
The molecular weight of 4a-Nitrodecahydronaphthalene is 183.13 g/mol.
Where can I buy 4a-Nitrodecahydronaphthalene?
You can request a quote for 4a-Nitrodecahydronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Nitrodecahydronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 4a-Nitrodecahydronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.