1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)
TL;DR: 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) (CAS 66398-65-0) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate
Also Known As: 1-Propanol,3- -,4-methylbenzenesulfonate, N-Methyl-N-nitroso-3-(tosyloxy)propylamin, METHYL-(GAMMA-TOSYLOXY-PROPYL)NITROSAMINE, 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester), 3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 66398-65-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)N=O |
| InChIKey | COCFCYNGJGKXSR-UHFFFAOYSA-N |
Product Overview
1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) (CAS 66398-65-0), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: 3-[methyl(nitroso)amino]propyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)
Property Insights of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester). The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester). Following Lipinski's Rule of Five, 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) has 0 hydrogen bond donor(s) and 6 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, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)?
The CAS number of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) is 66398-65-0.
What is the molecular formula of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)?
The molecular formula of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) is C11H16N2O4S.
What is the molecular weight of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)?
The molecular weight of 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) is 272.08 g/mol.
Where can I buy 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)?
You can request a quote for 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3-(methylnitrosoamino)-, 4-methylbenzenesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.