WP 4101
TL;DR: WP 4101 (CAS 91889-47-3) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Also Known As: WP 4101, CP 66713, 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-, 2-[N-(2,6-dimethoxyphenoxyethyl)aminomethyl]-1,4-benzodioxin, N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 91889-47-3 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)OCCNCC2=COC3=CC=CC=C3O2 |
| InChIKey | PYGPYGBRCVHXJN-UHFFFAOYSA-N |
Product Overview
WP 4101 (CAS 91889-47-3), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine.
Chemical Property Profile of WP 4101
Property Insights of WP 4101
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WP 4101. With a topological polar surface area (TPSA) of 58.2 Ų, WP 4101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WP 4101 has 1 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 WP 4101?
The CAS number of WP 4101 is 91889-47-3.
What is the molecular formula of WP 4101?
The molecular formula of WP 4101 is C19H21NO5.
What is the molecular weight of WP 4101?
The molecular weight of WP 4101 is 343.14 g/mol.
Where can I buy WP 4101?
You can request a quote for WP 4101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WP 4101?
Yes, KEHONG BIO provides custom synthesis services for WP 4101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.