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 665.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C42H23N3O6 |
|---|---|
| Molecular Weight | 665.16 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 665.1587 |
| Heavy Atoms | 51 |
| Complexity | 1450.0 |
| Melting Point | 180.0 °C (decomposes) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 131-92-0 |
|---|---|
| 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 Overview
C.I. Vat Brown 3 (CAS 131-92-0), with molecular formula C42H23N3O6 and molecular weight 665.16 g/mol. IUPAC: 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.
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
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 665.16 g/mol.
Where can I buy C.I. Vat Brown 3?
You can request a quote for C.I. Vat Brown 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Vat Brown 3?
Yes, KEHONG BIO provides custom synthesis services for C.I. Vat Brown 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.