5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)
TL;DR: 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) (CAS 20133-60-2) is a chemical compound with molecular formula C10H15N2O6P and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: aniline; 2-hydroxy-5-methyl-5-nitro-1,3,2, 5-methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide- aniline(1:1), 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1), aniline,2-hydroxy-5-methyl-5-nitro-1,3,2lambda5-dioxaphosphinane, 2-Hydroxy-5-methyl-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one--aniline (1/1)
| Molecular Formula | C10H15N2O6P |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 1.4378 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.06677 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 20133-60-2 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)O)[N+](=O)[O-].C1=CC=C(C=C1)N |
| InChIKey | HPSGWNVTNPYBFT-UHFFFAOYSA-N |
Product Overview
5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) (CAS 20133-60-2), with molecular formula C10H15N2O6P and molecular weight 290.07 g/mol. IUPAC: aniline;2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)
Property Insights of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)
The XLogP value of 1.4378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1). The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1). Following Lipinski's Rule of Five, 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) has 2 hydrogen bond donor(s) and 7 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 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)?
The CAS number of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) is 20133-60-2.
What is the molecular formula of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)?
The molecular formula of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) is C10H15N2O6P.
What is the molecular weight of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)?
The molecular weight of 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) is 290.07 g/mol.
Where can I buy 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)?
You can request a quote for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-aniline(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.