![4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane structure](/static/products/2536/253607-92-0.webp)
4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane
TL;DR: 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane (CAS 253607-92-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(nitromethyl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
Also Known As: RCL S18369, 4-(nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane, 2,6,3,5-Ethanediylidene-2H-pentaleno[1,6-bc]furan, octahydro-2-(nitromethyl)-, 4-(nitromethyl)-5-oxahexacyclo[5.4.1.0?,?.0?,??.0?,?.0?,??]dodecane, 4-(nitromethyl)-5-oxahexacyclo[5.4.1.0~2,6~.0~3,10~.0~4,8~.0~9,12~]dodecane
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.7884 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 455.18024 |
Chemical Identifiers
| CAS Number | 253607-92-0 |
|---|---|
| SMILES | C1C2C3C4C1C5C2C6C3C4C5(O6)C[N+](=O)[O-] |
Product Overview
4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane (CAS 253607-92-0), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-(nitromethyl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane.
Chemical Property Profile of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane
Property Insights of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane
The XLogP value of 0.7884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane. With a topological polar surface area (TPSA) of 52.37 Ų, 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane has 0 hydrogen bond donor(s) and 3 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 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane?
The CAS number of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane is 253607-92-0.
What is the molecular formula of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane?
The molecular formula of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane is C12H13NO3.
What is the molecular weight of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane?
The molecular weight of 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane is 219.09 g/mol.
Where can I buy 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane?
You can request a quote for 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane?
Yes, KEHONG BIO provides custom synthesis services for 4-(Nitromethyl)-5-oxahexacyclo[5.4.1.0^{2,6}.0^{3,10}.0^{4,8}.0^{9,12}]dodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.