Hodgkinsine
TL;DR: Hodgkinsine (CAS 586955-76-2) is a chemical compound with molecular formula C33H38N6 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Also Known As: Hodgkinsine, hodgkinsine B, Pyrrolo[2,3-b]indole, hodgkinsine deriv., J3.153.913G, 3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
| Molecular Formula | C33H38N6 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 518.3158 |
| Heavy Atoms | 39 |
| Complexity | 989.0 |
Chemical Identifiers
| CAS Number | 586955-76-2 |
|---|---|
| SMILES | CN1CCC2(C1NC3=CC=CC=C32)C4=C5C(=CC=C4)C6(CCN(C6N5)C)C78CCN(C7NC9=CC=CC=C89)C |
| InChIKey | DPVWJPVYOXKFRQ-UHFFFAOYSA-N |
Product Overview
Hodgkinsine (CAS 586955-76-2), with molecular formula C33H38N6 and molecular weight 518.32 g/mol. IUPAC: 3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.
Chemical Property Profile of Hodgkinsine
Property Insights of Hodgkinsine
The XLogP value of 5.7 indicates that Hodgkinsine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Hodgkinsine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hodgkinsine 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 Hodgkinsine?
The CAS number of Hodgkinsine is 586955-76-2.
What is the molecular formula of Hodgkinsine?
The molecular formula of Hodgkinsine is C33H38N6.
What is the molecular weight of Hodgkinsine?
The molecular weight of Hodgkinsine is 518.32 g/mol.
Where can I buy Hodgkinsine?
You can request a quote for Hodgkinsine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hodgkinsine?
Yes, KEHONG BIO provides custom synthesis services for Hodgkinsine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.