ACID BROWN 13
TL;DR: ACID BROWN 13 (CAS 6373-79-1) is a chemical compound with molecular formula C36H26N6Na2O12S3 and molecular weight 876.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-anilino-5-[4-[4-(4-anilino-3-sulfonatoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonate
Also Known As: ACID BROWN 13, C.I. Acid Brown 13, EINECS 228-922-0, Benzenesulfonic acid, 3,3'-(sulfonylbis((2-nitro-4,1-phenylene)imino))bis(6-(phenylamino)-, disodium salt, Benzenesulfonic acid, 3,3'-(sulfonylbis((2-nitro-4,1-phenylene)imino))bis(6-(phenylamino)-, sodium salt (1:2)
| Molecular Formula | C36H26N6Na2O12S3 |
|---|---|
| Molecular Weight | 876.06 g/mol |
| LogP | 1.1264 |
| Topological Polar Surface Area | 282.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 876.05664 |
| Heavy Atoms | 59 |
| Complexity | 2702.6 |
Chemical Identifiers
| CAS Number | 6373-79-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)NC5=CC(=C(C=C5)NC6=CC=CC=C6)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
ACID BROWN 13 (CAS 6373-79-1), with molecular formula C36H26N6Na2O12S3 and molecular weight 876.06 g/mol. IUPAC: disodium;2-anilino-5-[4-[4-(4-anilino-3-sulfonatoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonate.
Chemical Property Profile of ACID BROWN 13
Property Insights of ACID BROWN 13
The XLogP value of 1.1264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ACID BROWN 13. The TPSA of 282.94 Ų indicates high polarity, suggesting ACID BROWN 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ACID BROWN 13 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ACID BROWN 13?
The CAS number of ACID BROWN 13 is 6373-79-1.
What is the molecular formula of ACID BROWN 13?
The molecular formula of ACID BROWN 13 is C36H26N6Na2O12S3.
What is the molecular weight of ACID BROWN 13?
The molecular weight of ACID BROWN 13 is 876.06 g/mol.
Where can I buy ACID BROWN 13?
You can request a quote for ACID BROWN 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ACID BROWN 13?
Yes, KEHONG BIO provides custom synthesis services for ACID BROWN 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.