Spiroxepin
TL;DR: Spiroxepin (CAS 47254-05-7) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
Also Known As: Spiroxepin, Spiroxepine, Espiroxepina, Spiroxepinum, Spiroxepin [INN]
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 47254-05-7 |
|---|---|
| SMILES | CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24 |
| InChIKey | CMEBTCWURHMCEE-UHFFFAOYSA-N |
Product Overview
Spiroxepin (CAS 47254-05-7), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine.
Chemical Property Profile of Spiroxepin
Property Insights of Spiroxepin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiroxepin. With a topological polar surface area (TPSA) of 30.9 Ų, Spiroxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiroxepin has 0 hydrogen bond donor(s) and 4 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 Spiroxepin?
The CAS number of Spiroxepin is 47254-05-7.
What is the molecular formula of Spiroxepin?
The molecular formula of Spiroxepin is C19H21NO3.
What is the molecular weight of Spiroxepin?
The molecular weight of Spiroxepin is 311.15 g/mol.
Where can I buy Spiroxepin?
You can request a quote for Spiroxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiroxepin?
Yes, KEHONG BIO provides custom synthesis services for Spiroxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.