3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium
TL;DR: 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium (CAS 1547-15-5) is a chemical compound with molecular formula C15H16Cl2N5O6+ and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Lamotrigine N2-glucuronide, Lamotrigine 2-N-glucuronide, DISCONTINUED, N-2-beta-D-glucuronide, Lamotrigine 2-glucuronide
| Molecular Formula | C15H16Cl2N5O6+ |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.04776 |
| Heavy Atoms | 28 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 1547-15-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C([N+](=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)N |
| InChIKey | IEVMENHZPOWVGO-XPORZQOISA-O |
Product Overview
3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium (CAS 1547-15-5), with molecular formula C15H16Cl2N5O6+ and molecular weight 432.05 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium
Property Insights of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium. The TPSA of 189.0 Ų indicates high polarity, suggesting 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium?
The CAS number of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium is 1547-15-5.
What is the molecular formula of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium?
The molecular formula of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium is C15H16Cl2N5O6+.
What is the molecular weight of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium?
The molecular weight of 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium is 432.05 g/mol.
Where can I buy 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium?
You can request a quote for 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diamino-6-(2,3-dichlorophenyl)-2-beta-D-glucopyranuronosyl-1,2,4-triazinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.