波卡帕韦
TL;DR: 波卡帕韦 (CAS 146949-21-5) is a chemical compound with molecular formula C21H17Cl3O3 and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
波卡帕韦
1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene
Also Known As: Pocapavir, pocapavirum, Pocapavir [INN], Pocapavir?, v-073
| Molecular Formula | C21H17Cl3O3 |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.02432 |
| Heavy Atoms | 27 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 146949-21-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OCC2=CC=C(C=C2)COC3=C(C=CC=C3Cl)Cl)Cl |
| InChIKey | XXMDDBVNWRWNCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
波卡帕韦 (CAS 146949-21-5), with molecular formula C21H17Cl3O3 and molecular weight 422.02 g/mol. IUPAC: 1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene.
Chemical Property Profile of 波卡帕韦
Property Insights of 波卡帕韦
The XLogP value of 6.7 indicates that 波卡帕韦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 波卡帕韦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 波卡帕韦 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 波卡帕韦?
The CAS number of 波卡帕韦 is 146949-21-5.
What is the molecular formula of 波卡帕韦?
The molecular formula of 波卡帕韦 is C21H17Cl3O3.
What is the molecular weight of 波卡帕韦?
The molecular weight of 波卡帕韦 is 422.02 g/mol.
Where can I buy 波卡帕韦?
You can request a quote for 波卡帕韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 波卡帕韦?
Yes, KEHONG BIO provides custom synthesis services for 波卡帕韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.