Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)
TL;DR: Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) (CAS 74797-34-5) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-ethylurea
Also Known As: cis/trans Citral, N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethylurea hydrate (2:1), 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-ethylurea, AE-641/30117033, Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)
| Molecular Formula | C17H18N2OS |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.7008 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.11398 |
| Heavy Atoms | 21 |
| Complexity | 609.2433 |
Chemical Identifiers
| CAS Number | 74797-34-5 |
|---|---|
| SMILES | CCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13 |
Product Overview
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) (CAS 74797-34-5), with molecular formula C17H18N2OS and molecular weight 298.11 g/mol. IUPAC: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-ethylurea.
Chemical Property Profile of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)
Property Insights of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)
The XLogP value of 3.7008 indicates that Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) has 2 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 Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)?
The CAS number of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) is 74797-34-5.
What is the molecular formula of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)?
The molecular formula of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) is C17H18N2OS.
What is the molecular weight of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)?
The molecular weight of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) is 298.11 g/mol.
Where can I buy Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)?
You can request a quote for Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-ethyl-, hydrate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.