1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)
TL;DR: 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) (CAS 109350-98-3) is a chemical compound with molecular formula C17H19ClN6O4S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-[4-(4-nitrophenyl)sulfonylphenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Also Known As: 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2), 1,6-Dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-1,3,5-triazine-2,4-diamine HCl, 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfonylphenyl]-1,3,5-triazine-2,4-diamine hydrochloride, 6,6-Dimethyl-1-[4-(4-nitrobenzene-1-sulfonyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1), RefChem:217355
| Molecular Formula | C17H19ClN6O4S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 2.0349 |
| Topological Polar Surface Area | 157.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0877 |
| Heavy Atoms | 29 |
| Complexity | 1095.7479 |
Chemical Identifiers
| CAS Number | 109350-98-3 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)N)C.Cl |
Product Overview
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) (CAS 109350-98-3), with molecular formula C17H19ClN6O4S and molecular weight 438.09 g/mol. IUPAC: 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfonylphenyl]-1,3,5-triazine-2,4-diamine;hydrochloride.
Chemical Property Profile of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)
Property Insights of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)
The XLogP value of 2.0349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2). The TPSA of 157.28 Ų indicates high polarity, suggesting 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) has 2 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 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)?
The CAS number of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) is 109350-98-3.
What is the molecular formula of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)?
The molecular formula of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) is C17H19ClN6O4S.
What is the molecular weight of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)?
The molecular weight of 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) is 438.09 g/mol.
Where can I buy 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)?
You can request a quote for 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.