1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)
TL;DR: 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) (CAS 62291-95-6) is a chemical compound with molecular formula C11H15NO5S and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-nitropropyl) 4-methylbenzenesulfonate
Also Known As: starbld0022592, Maybridge1_004117, 2-Methyl-2-nitro-1-propyltosylate, RARECHEM AQ A1 0061, 2-methyl-2-nitropropyl 4-methylbenzenesulfonate
| Molecular Formula | C11H15NO5S |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0671 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 62291-95-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)[N+](=O)[O-] |
| InChIKey | JPBYZIPRNBTADS-UHFFFAOYSA-N |
Product Overview
1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) (CAS 62291-95-6), with molecular formula C11H15NO5S and molecular weight 273.07 g/mol. IUPAC: (2-methyl-2-nitropropyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)
Property Insights of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate). The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) 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 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)?
The CAS number of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) is 62291-95-6.
What is the molecular formula of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)?
The molecular formula of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) is C11H15NO5S.
What is the molecular weight of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)?
The molecular weight of 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) is 273.07 g/mol.
Where can I buy 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)?
You can request a quote for 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 2-methyl-2-nitro-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.