WB 4101
TL;DR: WB 4101 (CAS 613-67-2) is a chemical compound with molecular formula C19H23NO5 and molecular weight 345.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Also Known As: WB 4101, WB-4101 hydrochloride, Spectrum2_001575, Spectrum3_000785, Spectrum4_001213
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.15762 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.15762 Da |
| Heavy Atoms | 25 |
| Complexity | 371.0 |
| SMILES | COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2 |
| InChIKey | GYSZUJHYXCZAKI-UHFFFAOYSA-N |
Product Description
Applications: WB 4101 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
WB 4101 (CAS 613-67-2) is a pharmaceutical intermediate with the molecular formula C19H23NO5 and a molecular weight of 345.16 g/mol. Synonyms include WB-4101 and WB 4101.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of WB 4101
Property Insights of WB 4101
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WB 4101. With a topological polar surface area (TPSA) of 58.2 Ų, WB 4101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WB 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
What is the CAS number of WB 4101?
The CAS number of WB 4101 is 613-67-2.
What is the molecular formula of WB 4101?
The molecular formula of WB 4101 is C19H23NO5.
What is the molecular weight of WB 4101?
The molecular weight of WB 4101 is 345.15762 g/mol.
What are the applications of WB 4101?
WB 4101 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy WB 4101?
You can request a quote for WB 4101 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for WB 4101?
Yes, CoreyChem provides custom synthesis services for WB 4101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.