T-611 p-toluenesulfonate
TL;DR: T-611 p-toluenesulfonate (CAS 350595-62-9) is a chemical compound with molecular formula C20H24N6O6S and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine;4-methylbenzenesulfonic acid
Also Known As: T-611 p-toluenesulfonate, T-902611 p-toluenesulfonate, T-0902611 p-toluenesulfonate, 2-(3S-3-Methylmorpholino)-4-(imidazol-1-yl)-6-methyl-5-nitropyrimidine p-toluenesulfonate, (3S)-4-(4-Imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)-3-methyl-morpholine 4-methylbenzenesulfonic acid
| Molecular Formula | C20H24N6O6S |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 2.34574 |
| Topological Polar Surface Area | 153.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.1478 |
| Heavy Atoms | 33 |
| Complexity | 1214.5972 |
Chemical Identifiers
| CAS Number | 350595-62-9 |
|---|---|
| SMILES | C[C@H]1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
T-611 p-toluenesulfonate (CAS 350595-62-9), with molecular formula C20H24N6O6S and molecular weight 476.15 g/mol. IUPAC: (3S)-4-(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine;4-methylbenzenesulfonic acid.
Chemical Property Profile of T-611 p-toluenesulfonate
Property Insights of T-611 p-toluenesulfonate
The XLogP value of 2.34574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T-611 p-toluenesulfonate. The TPSA of 153.58 Ų indicates high polarity, suggesting T-611 p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, T-611 p-toluenesulfonate has 1 hydrogen bond donor(s) and 9 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 T-611 p-toluenesulfonate?
The CAS number of T-611 p-toluenesulfonate is 350595-62-9.
What is the molecular formula of T-611 p-toluenesulfonate?
The molecular formula of T-611 p-toluenesulfonate is C20H24N6O6S.
What is the molecular weight of T-611 p-toluenesulfonate?
The molecular weight of T-611 p-toluenesulfonate is 476.15 g/mol.
Where can I buy T-611 p-toluenesulfonate?
You can request a quote for T-611 p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T-611 p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for T-611 p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.