Oxmetidine mesylate
TL;DR: Oxmetidine mesylate (CAS 84455-52-7) is a chemical compound with molecular formula C20H25N5O6S2 and molecular weight 495.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;methanesulfonic acid
Also Known As: Oxmetidine mesylate, 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-{[(5-methyl-1h-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(3h)-one methanesulfonate(1:1), 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one; methanesulfonic acid, Methanesulfonic acid--5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)imino]-1,2-dihydropyrimidin-4-ol (1/1)
| Molecular Formula | C20H25N5O6S2 |
|---|---|
| Molecular Weight | 495.12 g/mol |
| LogP | 1.97022 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.12463 |
| Heavy Atoms | 33 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 84455-52-7 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4.CS(=O)(=O)O |
| InChIKey | IBFFJUWPTMSRLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxmetidine mesylate (CAS 84455-52-7), with molecular formula C20H25N5O6S2 and molecular weight 495.12 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;methanesulfonic acid.
Chemical Property Profile of Oxmetidine mesylate
Property Insights of Oxmetidine mesylate
The XLogP value of 1.97022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxmetidine mesylate. The TPSA of 189.0 Ų indicates high polarity, suggesting Oxmetidine mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxmetidine mesylate has 4 hydrogen bond donor(s) and 9 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 Oxmetidine mesylate?
The CAS number of Oxmetidine mesylate is 84455-52-7.
What is the molecular formula of Oxmetidine mesylate?
The molecular formula of Oxmetidine mesylate is C20H25N5O6S2.
What is the molecular weight of Oxmetidine mesylate?
The molecular weight of Oxmetidine mesylate is 495.12 g/mol.
Where can I buy Oxmetidine mesylate?
You can request a quote for Oxmetidine mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxmetidine mesylate?
Yes, KEHONG BIO provides custom synthesis services for Oxmetidine mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.