Oxmetidine dihydrochloride
TL;DR: Oxmetidine dihydrochloride (CAS 70258-76-3) is a chemical compound with molecular formula C19H23Cl2N5O3S and molecular weight 471.09 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;dihydrochloride
Also Known As: Oxmetidine hydrochloride, Oxmetidine HCl, Oxmetidine dihydrochloride, Oxmetidine hydrochloride [USAN], SKF 92994A2
| Molecular Formula | C19H23Cl2N5O3S |
|---|---|
| Molecular Weight | 471.09 g/mol |
| LogP | 3.30982 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.08987 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 70258-76-3 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4.Cl.Cl |
| InChIKey | RBNMEHBTDUJJJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxmetidine dihydrochloride (CAS 70258-76-3), with molecular formula C19H23Cl2N5O3S and molecular weight 471.09 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride.
Chemical Property Profile of Oxmetidine dihydrochloride
Property Insights of Oxmetidine dihydrochloride
The XLogP value of 3.30982 indicates that Oxmetidine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxmetidine dihydrochloride. Following Lipinski's Rule of Five, Oxmetidine dihydrochloride has 5 hydrogen bond donor(s) and 6 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 dihydrochloride?
The CAS number of Oxmetidine dihydrochloride is 70258-76-3.
What is the molecular formula of Oxmetidine dihydrochloride?
The molecular formula of Oxmetidine dihydrochloride is C19H23Cl2N5O3S.
What is the molecular weight of Oxmetidine dihydrochloride?
The molecular weight of Oxmetidine dihydrochloride is 471.09 g/mol.
Where can I buy Oxmetidine dihydrochloride?
You can request a quote for Oxmetidine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxmetidine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Oxmetidine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.