Vat Orange 11
TL;DR: Vat Orange 11 (CAS 2172-33-0) is a chemical compound with molecular formula C42H18N2O6 and molecular weight 646.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone
Also Known As: Vat Orange 11, CI Vat orange 11, C.I.Vat Orange 11, Vat Orange 2, 1-Hydroxybenzotriazole
| Molecular Formula | C42H18N2O6 |
|---|---|
| Molecular Weight | 646.12 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 646.1165 |
| Heavy Atoms | 50 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 2172-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C(N4)C6=C(C=C5)C(=O)C7=C(C6=O)C=CC8=C7NC9=C8C=CC1=C9C(=O)C2=CC=CC=C2C1=O |
| InChIKey | CVWSULASWLZVCH-UHFFFAOYSA-N |
Product Overview
Vat Orange 11 (CAS 2172-33-0), with molecular formula C42H18N2O6 and molecular weight 646.12 g/mol. IUPAC: 5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone.
Chemical Property Profile of Vat Orange 11
Property Insights of Vat Orange 11
The XLogP value of 7.7 indicates that Vat Orange 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vat Orange 11. Following Lipinski's Rule of Five, Vat Orange 11 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vat Orange 11?
The CAS number of Vat Orange 11 is 2172-33-0.
What is the molecular formula of Vat Orange 11?
The molecular formula of Vat Orange 11 is C42H18N2O6.
What is the molecular weight of Vat Orange 11?
The molecular weight of Vat Orange 11 is 646.12 g/mol.
Where can I buy Vat Orange 11?
You can request a quote for Vat Orange 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Orange 11?
Yes, KEHONG BIO provides custom synthesis services for Vat Orange 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.