3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid
TL;DR: 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid (CAS 98210-99-2) is a chemical compound with molecular formula C18H10Cl2N4O8S2 and molecular weight 543.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-amino-6,13-dichloro-3-imino-7H-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
Also Known As: J3.672.767E, 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid, 3,10-diamino-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid, 3,10-DIAMINO-6,13-DICHLORO-5,12-DIOXA-7,14-DIAZAPENTACENE-4,11-DISULFONIC ACID, 3,10-Diamino-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
| Molecular Formula | C18H10Cl2N4O8S2 |
|---|---|
| Molecular Weight | 543.93 g/mol |
| LogP | 3.64377 |
| Topological Polar Surface Area | 205.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 543.9317 |
| Heavy Atoms | 34 |
| Complexity | 1820.6539 |
Chemical Identifiers
| CAS Number | 98210-99-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1N)S(=O)(=O)O)OC3=C(C4=C(C(=C3N2)Cl)OC5=C(C(=N)C=CC5=N4)S(=O)(=O)O)Cl |
Product Overview
3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid (CAS 98210-99-2), with molecular formula C18H10Cl2N4O8S2 and molecular weight 543.93 g/mol. IUPAC: 10-amino-6,13-dichloro-3-imino-7H-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid.
Chemical Property Profile of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid
Property Insights of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid
The XLogP value of 3.64377 indicates that 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.9 Ų indicates high polarity, suggesting 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid has 5 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 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid?
The CAS number of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid is 98210-99-2.
What is the molecular formula of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid?
The molecular formula of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid is C18H10Cl2N4O8S2.
What is the molecular weight of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid?
The molecular weight of 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid is 543.93 g/mol.
Where can I buy 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid?
You can request a quote for 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.