Oxmetidine
TL;DR: Oxmetidine (CAS 72830-39-8) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one
Also Known As: Oxmetidina, Oxmetidinum, ometidine mesylate, Oxmetidine [INN:BAN], Oxmetidinum [INN-Latin]
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H21N5O3S |
| Molecular Weight | 399.1365 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | YTBDPHYVGACIPC-UHFFFAOYSA-N |
Chemical Property Profile of Oxmetidine
Property Insights of Oxmetidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxmetidine. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxmetidine. Following Lipinski's Rule of Five, Oxmetidine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Oxmetidine?
The CAS number of Oxmetidine is 72830-39-8.
What is the molecular formula of Oxmetidine?
The molecular formula of Oxmetidine is C19H21N5O3S.
What is the molecular weight of Oxmetidine?
The molecular weight of Oxmetidine is 399.1365 g/mol.
Where can I buy Oxmetidine?
You can request a quote for Oxmetidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxmetidine?
Yes, CoreyChem provides custom synthesis services for Oxmetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.