Ustekinumab
TL;DR: Ustekinumab (CAS 47326-86-3) is a chemical compound with molecular formula C14H18Cl3N5O2 and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine
Also Known As: Ustekinumab, Stelara (TN), nchembio.87-comp2, BRL 6231hydrochloride, WR99210 hydrochloride
| Molecular Formula | C14H18Cl3N5O2 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.0526 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 47326-86-3 |
|---|---|
| SMILES | CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C |
| InChIKey | MJZJYWCQPMNPRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ustekinumab (CAS 47326-86-3), with molecular formula C14H18Cl3N5O2 and molecular weight 393.05 g/mol. IUPAC: 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Ustekinumab
Property Insights of Ustekinumab
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ustekinumab. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ustekinumab. Following Lipinski's Rule of Five, Ustekinumab has 2 hydrogen bond donor(s) and 3 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 Ustekinumab?
The CAS number of Ustekinumab is 47326-86-3.
What is the molecular formula of Ustekinumab?
The molecular formula of Ustekinumab is C14H18Cl3N5O2.
What is the molecular weight of Ustekinumab?
The molecular weight of Ustekinumab is 393.05 g/mol.
Where can I buy Ustekinumab?
You can request a quote for Ustekinumab directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ustekinumab?
Yes, KEHONG BIO provides custom synthesis services for Ustekinumab and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.