Amidotrizoic acid dihydrate
TL;DR: Amidotrizoic acid dihydrate (CAS 5455-39-0) is a chemical compound with molecular formula C33H22ClN9O12S4 and molecular weight 899.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: Amidotrizoic acid dihydrate, 5-((4-((4-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulpho-1-naphthyl)azo)-1-naphthyl)azo)naphthalene-1,3,6-trisulphonic acid, 5-[(e)-{4-[(e)-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl}diazenyl]naphthalen-1-yl}diazenyl]naphthalene-1,3,6-trisulfonic acid, 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid, 5-[2-[4-[2-[4-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-1,3,6-naphthalenetrisulfonic acid
| Molecular Formula | C33H22ClN9O12S4 |
|---|---|
| Molecular Weight | 899.00 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 898.9959 |
| Heavy Atoms | 59 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 5455-39-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=CC4=C3C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC5=C6C=C(C=CC6=C(C=C5)NC7=NC(=NC(=N7)N)Cl)S(=O)(=O)O |
| InChIKey | LWQGDVCHDQAPLU-UHFFFAOYSA-N |
Product Overview
Amidotrizoic acid dihydrate (CAS 5455-39-0), with molecular formula C33H22ClN9O12S4 and molecular weight 899.00 g/mol. IUPAC: 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of Amidotrizoic acid dihydrate
Property Insights of Amidotrizoic acid dihydrate
The XLogP value of 4.8 indicates that Amidotrizoic acid dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 377.0 Ų indicates high polarity, suggesting Amidotrizoic acid dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amidotrizoic acid dihydrate has 6 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amidotrizoic acid dihydrate?
The CAS number of Amidotrizoic acid dihydrate is 5455-39-0.
What is the molecular formula of Amidotrizoic acid dihydrate?
The molecular formula of Amidotrizoic acid dihydrate is C33H22ClN9O12S4.
What is the molecular weight of Amidotrizoic acid dihydrate?
The molecular weight of Amidotrizoic acid dihydrate is 899.00 g/mol.
Where can I buy Amidotrizoic acid dihydrate?
You can request a quote for Amidotrizoic acid dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amidotrizoic acid dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Amidotrizoic acid dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.