C.I. Vat Brown 3
TL;DR: C.I. Vat Brown 3 (CAS 131-92-0) is a chemical compound with molecular formula C42H23N3O6 and molecular weight 665.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2(15),3,5(14),7(12),8,10,17,20,22,24,27-dodecaen-8-yl)benzamide
Also Known As: Vat Brown 3, Atic Vat Brown R, Caledon Brown R, Novatic Brown R, C.I. VAT BROWN 3
Technical Specifications
| Molecular Formula | C42H23N3O6 |
| Molecular Weight | 665.1587 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 665.1587 Da |
| Heavy Atoms | 51 |
| Complexity | 1450.0 |
| Melting Point | 356 °F (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9 |
| InChIKey | AAKMSGQPNUGLAZ-UHFFFAOYSA-N |
Product Description
Applications: C.I. Vat Brown 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C.I. Vat Brown 3 (CAS 131-92-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
C.I. Vat Brown 3 is a fine chemical identified by CAS number 131-92-0 and the molecular formula C42H23N3O6 and a molecular weight of 665.16 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as Vat Brown 3 and Atic Vat Brown R.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of C.I. Vat Brown 3
Property Insights of C.I. Vat Brown 3
The XLogP value of 8.1 indicates that C.I. Vat Brown 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting C.I. Vat Brown 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Vat Brown 3 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C.I. Vat Brown 3?
The CAS number of C.I. Vat Brown 3 is 131-92-0.
What is the molecular formula of C.I. Vat Brown 3?
The molecular formula of C.I. Vat Brown 3 is C42H23N3O6.
What is the molecular weight of C.I. Vat Brown 3?
The molecular weight of C.I. Vat Brown 3 is 665.1587 g/mol.
What are the applications of C.I. Vat Brown 3?
C.I. Vat Brown 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C.I. Vat Brown 3 (CAS 131-92-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy C.I. Vat Brown 3?
You can request a quote for C.I. Vat Brown 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C.I. Vat Brown 3?
Yes, CoreyChem provides custom synthesis services for C.I. Vat Brown 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.