C.I.Vat Blue 31
TL;DR: C.I.Vat Blue 31 (CAS 6371-50-2) is a chemical compound with molecular formula C36H19N3O5S and molecular weight 605.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-3-(5,10-dioxonaphtho[2,3-f][1,3]benzothiazol-2-yl)-9,10-dioxoanthracen-1-yl]benzamide
Also Known As: C.I.Vat Blue 31, EINECS 228-897-6, Benzamide, N-(4-amino-3-(5,10-dihydro-5,10-dioxoanthra(2,3-d)thiazol-2-yl)-1-anthraquinonyl)-, Benzamide, N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-, Benzamide, N-(4-amino-3-(5,10-dihydro-5,10-dioxoanthra(2,3-d)thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
| Molecular Formula | C36H19N3O5S |
|---|---|
| Molecular Weight | 605.10 g/mol |
| LogP | 6.3486 |
| Topological Polar Surface Area | 136.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 605.10455 |
| Heavy Atoms | 45 |
| Complexity | 2284.7466 |
Chemical Identifiers
| CAS Number | 6371-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C4=NC5=C(S4)C=C6C(=C5)C(=O)C7=CC=CC=C7C6=O)N)C(=O)C8=CC=CC=C8C3=O |
Product Overview
C.I.Vat Blue 31 (CAS 6371-50-2), with molecular formula C36H19N3O5S and molecular weight 605.10 g/mol. IUPAC: N-[4-amino-3-(5,10-dioxonaphtho[2,3-f][1,3]benzothiazol-2-yl)-9,10-dioxoanthracen-1-yl]benzamide.
Chemical Property Profile of C.I.Vat Blue 31
Property Insights of C.I.Vat Blue 31
The XLogP value of 6.3486 indicates that C.I.Vat Blue 31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.29 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I.Vat Blue 31. Following Lipinski's Rule of Five, C.I.Vat Blue 31 has 2 hydrogen bond donor(s) and 8 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 Blue 31?
The CAS number of C.I.Vat Blue 31 is 6371-50-2.
What is the molecular formula of C.I.Vat Blue 31?
The molecular formula of C.I.Vat Blue 31 is C36H19N3O5S.
What is the molecular weight of C.I.Vat Blue 31?
The molecular weight of C.I.Vat Blue 31 is 605.10 g/mol.
Where can I buy C.I.Vat Blue 31?
You can request a quote for C.I.Vat Blue 31 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 Blue 31?
Yes, KEHONG BIO provides custom synthesis services for C.I.Vat Blue 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.