Quadrigemine B
TL;DR: Quadrigemine B (CAS 69937-10-6) is a chemical compound with molecular formula C44H50N8 and molecular weight 690.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Also Known As: Quadrigemine B, Quadrigemine A, Pyrrolo[2,3-b]indole, quadrigemine B deriv., 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole, 1-methyl-7-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}-3a-(1-methyl-3a-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-7-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole
| Molecular Formula | C44H50N8 |
|---|---|
| Molecular Weight | 690.42 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 690.41583 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 69937-10-6 |
|---|---|
| SMILES | CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C7=C8C(=CC=C7)C9(CCN(C9N8)C)C12CCN(C1NC1=CC=CC=C21)C |
| InChIKey | AVQUGAAZHJLAOQ-UHFFFAOYSA-N |
Product Overview
Quadrigemine B (CAS 69937-10-6), with molecular formula C44H50N8 and molecular weight 690.42 g/mol. IUPAC: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.
Chemical Property Profile of Quadrigemine B
Property Insights of Quadrigemine B
The XLogP value of 7.5 indicates that Quadrigemine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Quadrigemine B. Following Lipinski's Rule of Five, Quadrigemine B has 4 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 Quadrigemine B?
The CAS number of Quadrigemine B is 69937-10-6.
What is the molecular formula of Quadrigemine B?
The molecular formula of Quadrigemine B is C44H50N8.
What is the molecular weight of Quadrigemine B?
The molecular weight of Quadrigemine B is 690.42 g/mol.
Where can I buy Quadrigemine B?
You can request a quote for Quadrigemine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quadrigemine B?
Yes, KEHONG BIO provides custom synthesis services for Quadrigemine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.