Didesmethyldoxepin
TL;DR: Didesmethyldoxepin (CAS 5626-16-4) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine
Also Known As: Didemethyldoxepin, Didesmethyldoxepin
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5626-16-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=CCCN)C3=CC=CC=C3O1 |
| InChIKey | HLUSHBJOSPBFOC-UHFFFAOYSA-N |
Product Overview
Didesmethyldoxepin (CAS 5626-16-4), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine.
Chemical Property Profile of Didesmethyldoxepin
Property Insights of Didesmethyldoxepin
The XLogP value of 3.3 indicates that Didesmethyldoxepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, Didesmethyldoxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Didesmethyldoxepin has 1 hydrogen bond donor(s) and 2 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 Didesmethyldoxepin?
The CAS number of Didesmethyldoxepin is 5626-16-4.
What is the molecular formula of Didesmethyldoxepin?
The molecular formula of Didesmethyldoxepin is C17H17NO.
What is the molecular weight of Didesmethyldoxepin?
The molecular weight of Didesmethyldoxepin is 251.13 g/mol.
Where can I buy Didesmethyldoxepin?
You can request a quote for Didesmethyldoxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didesmethyldoxepin?
Yes, KEHONG BIO provides custom synthesis services for Didesmethyldoxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.