WMC50
TL;DR: WMC50 (CAS 197903-13-2) is a chemical compound with molecular formula C37H35N9O2 and molecular weight 637.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3-[4-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Also Known As: WMC50, 6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((3-(4-(3-((6-oxo-6H-imidazo(4,5,1-de)acridin-5-yl)amino)propyl)-1-piperazinyl)propyl)amino)-, [3-[4-[3-[(oxo[?]yl)amino]propyl]piperazin-1-yl]propylamino][?]one, 5-[[3-[4-[3-[(6-Oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl]-1-piperazinyl]propyl]amino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5-{[3-(4-{3-[(6-Oxo-6H-imidazo[4,5,1-de]acridin-5-yl)amino]propyl}piperazin-1-yl)propyl]amino}-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one
| Molecular Formula | C37H35N9O2 |
|---|---|
| Molecular Weight | 637.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 637.2914 |
| Heavy Atoms | 48 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 197903-13-2 |
|---|---|
| SMILES | C1CN(CCN1CCCNC2=C3C4=C(C=C2)N=CN4C5=CC=CC=C5C3=O)CCCNC6=C7C8=C(C=C6)N=NN8C9=CC=CC=C9C7=O |
| InChIKey | MQFWSJLJVULXGV-UHFFFAOYSA-N |
Product Overview
WMC50 (CAS 197903-13-2), with molecular formula C37H35N9O2 and molecular weight 637.29 g/mol. IUPAC: 10-[3-[4-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one.
Chemical Property Profile of WMC50
Property Insights of WMC50
The XLogP value of 6.3 indicates that WMC50 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for WMC50. Following Lipinski's Rule of Five, WMC50 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WMC50?
The CAS number of WMC50 is 197903-13-2.
What is the molecular formula of WMC50?
The molecular formula of WMC50 is C37H35N9O2.
What is the molecular weight of WMC50?
The molecular weight of WMC50 is 637.29 g/mol.
Where can I buy WMC50?
You can request a quote for WMC50 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WMC50?
Yes, KEHONG BIO provides custom synthesis services for WMC50 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.