Vat Brown 1
TL;DR: Vat Brown 1 (CAS 2475-33-4) 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.
17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21,23,25,28,31(44),32(41),34,36,38,42-octadecaene-7,14,20,27,33,40-hexone
Also Known As: Vat brown 1, Mayvat Brown BR, Benzadone Brown BR, Tinon Brown BR, Ahcovat Brown BR
| 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 |
| Melting Point | greater than 300.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2475-33-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C6C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)NC6=C1C(=C5N4)C(=O)C2=CC=CC=C2C1=O |
| InChIKey | DCYIADGZPJOOFN-UHFFFAOYSA-N |
Product Overview
Vat Brown 1 (CAS 2475-33-4), with molecular formula C42H18N2O6 and molecular weight 646.12 g/mol. IUPAC: 17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21,23,25,28,31(44),32(41),34,36,38,42-octadecaene-7,14,20,27,33,40-hexone.
Chemical Property Profile of Vat Brown 1
Property Insights of Vat Brown 1
The XLogP value of 7.7 indicates that Vat Brown 1 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 Brown 1. Following Lipinski's Rule of Five, Vat Brown 1 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 Brown 1?
The CAS number of Vat Brown 1 is 2475-33-4.
What is the molecular formula of Vat Brown 1?
The molecular formula of Vat Brown 1 is C42H18N2O6.
What is the molecular weight of Vat Brown 1?
The molecular weight of Vat Brown 1 is 646.12 g/mol.
Where can I buy Vat Brown 1?
You can request a quote for Vat Brown 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Brown 1?
Yes, KEHONG BIO provides custom synthesis services for Vat Brown 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.