双吲哚马来酰亚胺IX
TL;DR: 双吲哚马来酰亚胺IX (CAS 125314-64-9) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双吲哚马来酰亚胺IX
3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
Also Known As: bisindolylmaleimide IX, ro 31-8220, Bis IX, bisindolymaleimide IX, Ro31-8220
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 125314-64-9 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N |
| InChIKey | DSXXEELGXBCYNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双吲哚马来酰亚胺IX (CAS 125314-64-9), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate.
Chemical Property Profile of 双吲哚马来酰亚胺IX
Property Insights of 双吲哚马来酰亚胺IX
The XLogP value of 3.0 indicates that 双吲哚马来酰亚胺IX is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双吲哚马来酰亚胺IX. Following Lipinski's Rule of Five, 双吲哚马来酰亚胺IX has 3 hydrogen bond donor(s) and 4 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 双吲哚马来酰亚胺IX?
The CAS number of 双吲哚马来酰亚胺IX is 125314-64-9.
What is the molecular formula of 双吲哚马来酰亚胺IX?
The molecular formula of 双吲哚马来酰亚胺IX is C25H23N5O2S.
What is the molecular weight of 双吲哚马来酰亚胺IX?
The molecular weight of 双吲哚马来酰亚胺IX is 457.16 g/mol.
Where can I buy 双吲哚马来酰亚胺IX?
You can request a quote for 双吲哚马来酰亚胺IX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双吲哚马来酰亚胺IX?
Yes, KEHONG BIO provides custom synthesis services for 双吲哚马来酰亚胺IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.