C.I. Direct Yellow 63
TL;DR: C.I. Direct Yellow 63 (CAS 6527-68-0) is a chemical compound with molecular formula C27H24N6O9S2 and molecular weight 640.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid
Also Known As: C.I. Direct Yellow 63, 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid, 1,3-BIS(4-(4-AMINOBENZAMIDO)-3-SULFOPHENYL)UREA, Benzenesulfonic acid,3,3'-(carbonyldiimino)bis[6-[(4-aminobenzoyl)amino]-, disodium salt (9CI), 3,3'-[Carbonylbis(azanediyl)]bis[6-(4-aminobenzamido)benzene-1-sulfonic acid]
| Molecular Formula | C27H24N6O9S2 |
|---|---|
| Molecular Weight | 640.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.1046 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 6527-68-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | LMZUJDVEPPEXKS-UHFFFAOYSA-N |
Product Overview
C.I. Direct Yellow 63 (CAS 6527-68-0), with molecular formula C27H24N6O9S2 and molecular weight 640.10 g/mol. IUPAC: 2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfophenyl]carbamoylamino]benzenesulfonic acid.
Chemical Property Profile of C.I. Direct Yellow 63
Property Insights of C.I. Direct Yellow 63
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Yellow 63. The TPSA of 277.0 Ų indicates high polarity, suggesting C.I. Direct Yellow 63 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Yellow 63 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Direct Yellow 63?
The CAS number of C.I. Direct Yellow 63 is 6527-68-0.
What is the molecular formula of C.I. Direct Yellow 63?
The molecular formula of C.I. Direct Yellow 63 is C27H24N6O9S2.
What is the molecular weight of C.I. Direct Yellow 63?
The molecular weight of C.I. Direct Yellow 63 is 640.10 g/mol.
Where can I buy C.I. Direct Yellow 63?
You can request a quote for C.I. Direct Yellow 63 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Yellow 63?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Yellow 63 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.