3,3'-二吲哚甲烷
TL;DR: 3,3'-二吲哚甲烷 (CAS 1968-05-4) is a chemical compound with molecular formula C17H14N2 and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二吲哚甲烷
3-(1H-indol-3-ylmethyl)-1H-indole
Also Known As: 3,3'-Diindolylmethane, diindolylmethane, Plant Indole, di(1H-indol-3-yl)methane, 3,3'-Methylenediindole
| Molecular Formula | C17H14N2 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.11569 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 1968-05-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 |
| InChIKey | VFTRKSBEFQDZKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-二吲哚甲烷 (CAS 1968-05-4), with molecular formula C17H14N2 and molecular weight 246.12 g/mol. IUPAC: 3-(1H-indol-3-ylmethyl)-1H-indole.
Chemical Property Profile of 3,3'-二吲哚甲烷
Property Insights of 3,3'-二吲哚甲烷
The XLogP value of 4.3 indicates that 3,3-二吲哚基甲烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.6 Ų, 3,3'-二吲哚甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二吲哚基甲烷 has 2 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-二吲哚基甲烷?
The CAS number of 3,3-二吲哚基甲烷 is 1968-05-4.
What is the molecular formula of 3,3-二吲哚基甲烷?
The molecular formula of 3,3-二吲哚基甲烷 is C17H14N2.
What is the molecular weight of 3,3-二吲哚基甲烷?
The molecular weight of 3,3-二吲哚基甲烷 is 246.12 g/mol.
Where can I buy 3,3-二吲哚基甲烷?
You can request a quote for 3,3-二吲哚基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二吲哚基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二吲哚基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.