Orantinib
TL;DR: Orantinib (CAS 210644-62-5) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Also Known As: Orantinib, Orantinibum, Orantinib [INN], TSU 68, SU 6668
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.14144 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 830.7874 |
Chemical Identifiers
| CAS Number | 210644-62-5 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)O)C)/C=C/2\C3=CC=CC=C3NC2=O |
Product Overview
Orantinib (CAS 210644-62-5), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of Orantinib
Property Insights of Orantinib
The XLogP value of 3.14144 indicates that Orantinib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Orantinib. Following Lipinski's Rule of Five, Orantinib has 3 hydrogen bond donor(s) and 2 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 Orantinib?
The CAS number of Orantinib is 210644-62-5.
What is the molecular formula of Orantinib?
The molecular formula of Orantinib is C18H18N2O3.
What is the molecular weight of Orantinib?
The molecular weight of Orantinib is 310.13 g/mol.
Where can I buy Orantinib?
You can request a quote for Orantinib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orantinib?
Yes, KEHONG BIO provides custom synthesis services for Orantinib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.