Lupitidine
TL;DR: Lupitidine (CAS 83903-06-4) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
Also Known As: Lupitidinum, lupitidina, Lupitidine [INN], Lupitidinum [Latin], 2-((2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-4(1H)-pyrimidinone
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 3.06402 |
| Topological Polar Surface Area | 87.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 965.7028 |
Chemical Identifiers
| CAS Number | 83903-06-4 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C |
Product Overview
Lupitidine (CAS 83903-06-4), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of Lupitidine
Property Insights of Lupitidine
The XLogP value of 3.06402 indicates that Lupitidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Lupitidine. Following Lipinski's Rule of Five, Lupitidine has 2 hydrogen bond donor(s) and 7 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 Lupitidine?
The CAS number of Lupitidine is 83903-06-4.
What is the molecular formula of Lupitidine?
The molecular formula of Lupitidine is C21H27N5O2S.
What is the molecular weight of Lupitidine?
The molecular weight of Lupitidine is 413.19 g/mol.
Where can I buy Lupitidine?
You can request a quote for Lupitidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupitidine?
Yes, KEHONG BIO provides custom synthesis services for Lupitidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.