Lupitidine Hydrochloride
TL;DR: Lupitidine Hydrochloride (CAS 72716-75-7) is a chemical compound with molecular formula C21H30Cl3N5O2S and molecular weight 521.12 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;trihydrochloride
Also Known As: LUPITIDINE HYDROCHLORIDE, Lupitidine HCl, Lupitidine.3HCl, Lupitidine trihydrochloride, SK&F 93479
| Molecular Formula | C21H30Cl3N5O2S |
|---|---|
| Molecular Weight | 521.12 g/mol |
| LogP | 4.32942 |
| Topological Polar Surface Area | 87.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1186 |
| Heavy Atoms | 32 |
| Complexity | 980.0665 |
Chemical Identifiers
| CAS Number | 72716-75-7 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl |
Product Overview
Lupitidine Hydrochloride (CAS 72716-75-7), with molecular formula C21H30Cl3N5O2S and molecular weight 521.12 g/mol. IUPAC: 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one;trihydrochloride.
Chemical Property Profile of Lupitidine Hydrochloride
Property Insights of Lupitidine Hydrochloride
The XLogP value of 4.32942 indicates that Lupitidine Hydrochloride 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 Hydrochloride. Following Lipinski's Rule of Five, Lupitidine Hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupitidine Hydrochloride?
The CAS number of Lupitidine Hydrochloride is 72716-75-7.
What is the molecular formula of Lupitidine Hydrochloride?
The molecular formula of Lupitidine Hydrochloride is C21H30Cl3N5O2S.
What is the molecular weight of Lupitidine Hydrochloride?
The molecular weight of Lupitidine Hydrochloride is 521.12 g/mol.
Where can I buy Lupitidine Hydrochloride?
You can request a quote for Lupitidine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupitidine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Lupitidine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.