Moxastine theoclate
TL;DR: Moxastine theoclate (CAS 21661-62-1) is a chemical compound with molecular formula C25H30ClN5O3 and molecular weight 483.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7H-purine-2,6-dione;2-(1,1-diphenylethoxy)-N,N-dimethylethanamine
Also Known As: Moxastine theoclate, Mephenhydrinate, Theadryl, moxastine teoclate, MEPHENHYDRAMINE TEOCLATE
| Molecular Formula | C25H30ClN5O3 |
|---|---|
| Molecular Weight | 483.20 g/mol |
| LogP | 3.14 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.2037 |
| Heavy Atoms | 34 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 21661-62-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
| InChIKey | ZAYCRPQFDFUAHF-UHFFFAOYSA-N |
Product Overview
Moxastine theoclate (CAS 21661-62-1), with molecular formula C25H30ClN5O3 and molecular weight 483.20 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;2-(1,1-diphenylethoxy)-N,N-dimethylethanamine.
Chemical Property Profile of Moxastine theoclate
Property Insights of Moxastine theoclate
The XLogP value of 3.14 indicates that Moxastine theoclate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Moxastine theoclate. Following Lipinski's Rule of Five, Moxastine theoclate has 1 hydrogen bond donor(s) and 5 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 Moxastine theoclate?
The CAS number of Moxastine theoclate is 21661-62-1.
What is the molecular formula of Moxastine theoclate?
The molecular formula of Moxastine theoclate is C25H30ClN5O3.
What is the molecular weight of Moxastine theoclate?
The molecular weight of Moxastine theoclate is 483.20 g/mol.
Where can I buy Moxastine theoclate?
You can request a quote for Moxastine theoclate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moxastine theoclate?
Yes, KEHONG BIO provides custom synthesis services for Moxastine theoclate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.