Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-
TL;DR: Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- (CAS 74797-26-5) is a chemical compound with molecular formula C21H26N2OS and molecular weight 354.18 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-hexylurea
Also Known As: Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-, 1-(6,11-Dihydrobenzo(b,e)thiepin-11-yl)-3-(n-hexyl)urea, 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexylurea, AE-641/30117034, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N'-hexylurea
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.2612 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 669.0472 |
Chemical Identifiers
| CAS Number | 74797-26-5 |
|---|---|
| SMILES | CCCCCCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13 |
Product Overview
Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- (CAS 74797-26-5), with molecular formula C21H26N2OS and molecular weight 354.18 g/mol. IUPAC: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexylurea.
Chemical Property Profile of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-
Property Insights of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-
The XLogP value of 5.2612 indicates that Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- 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'-hexyl- 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'-hexyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-?
The CAS number of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- is 74797-26-5.
What is the molecular formula of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-?
The molecular formula of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- is C21H26N2OS.
What is the molecular weight of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-?
The molecular weight of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- is 354.18 g/mol.
Where can I buy Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-?
You can request a quote for Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- 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'-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.