1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate
TL;DR: 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate (CAS 66969-80-0) is a chemical compound with molecular formula C18H23NO5S2 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylphenyl)sulfonylamino]butan-2-yl 4-methylbenzenesulfonate
Also Known As: 1-METHYL-3-(P-TOSYLAMINO)PROPYL P-TOLUENESULFONATE, 4-[(4-methylphenyl)sulfonylamino]butan-2-yl 4-methylbenzenesulfonate, 4-methyl-N-[3-(4-methylphenyl)sulfonyloxybutyl]benzenesulfonamide, 3-{[(4-methylbenzene)sulfonyl]oxy}-N-(4-methylphenyl)butane-1-sulfonamido, Benzenesulfonamide, 4-methyl-N-[3-[[(4-methylphenyl)sulfonyl]oxy]butyl]-
| Molecular Formula | C18H23NO5S2 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 2.76584 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.10178 |
| Heavy Atoms | 26 |
| Complexity | 934.08093 |
Chemical Identifiers
| CAS Number | 66969-80-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)OS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate (CAS 66969-80-0), with molecular formula C18H23NO5S2 and molecular weight 397.10 g/mol. IUPAC: 4-[(4-methylphenyl)sulfonylamino]butan-2-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate
Property Insights of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate
The XLogP value of 2.76584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate. Following Lipinski's Rule of Five, 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate has 1 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-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate?
The CAS number of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate is 66969-80-0.
What is the molecular formula of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate?
The molecular formula of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate is C18H23NO5S2.
What is the molecular weight of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate?
The molecular weight of 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate is 397.10 g/mol.
Where can I buy 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate?
You can request a quote for 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(P-tosylamino)propyl P-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.