RefChem:217356
TL;DR: RefChem:217356 (CAS 13413-53-1) is a chemical compound with molecular formula C17H19ClN6O2S and molecular weight 406.10 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)sulfanylphenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Also Known As: 3-phenyl-carbazic acid phenyl ester, 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)thio)phenyl)-, monohydrochloride, 4-Nitro-4'-(2,4-diamino-6,6-dimethyl-1,6-dihydro-1,3,5-triazine)diphenyl sulfide HCl, 1,6-Dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)thio)phenyl)-1,3,5-triazine-2,4-diamine HCl, 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazine-2,4-diamine hydrochloride
| Molecular Formula | C17H19ClN6O2S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.3533 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.09787 |
| Heavy Atoms | 27 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 13413-53-1 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N)N)C.Cl |
| InChIKey | UVCDEDVFYJTYHM-UHFFFAOYSA-N |
Product Overview
RefChem:217356 (CAS 13413-53-1), with molecular formula C17H19ClN6O2S and molecular weight 406.10 g/mol. IUPAC: 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazine-2,4-diamine;hydrochloride.
Chemical Property Profile of RefChem:217356
Property Insights of RefChem:217356
The XLogP value of 3.3533 indicates that RefChem:217356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:217356 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217356 has 3 hydrogen bond donor(s) and 4 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 RefChem:217356?
The CAS number of RefChem:217356 is 13413-53-1.
What is the molecular formula of RefChem:217356?
The molecular formula of RefChem:217356 is C17H19ClN6O2S.
What is the molecular weight of RefChem:217356?
The molecular weight of RefChem:217356 is 406.10 g/mol.
Where can I buy RefChem:217356?
You can request a quote for RefChem:217356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217356?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.