Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-
TL;DR: Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- (CAS 99756-32-8) is a chemical compound with molecular formula C31H32N4OS and molecular weight 508.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile
Also Known As: Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-, 11-[3-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile, 11-[3-(4-Hydroxy-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)propyl]-6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile, BRN 4620880, RefChem:337103
| Molecular Formula | C31H32N4OS |
|---|---|
| Molecular Weight | 508.23 g/mol |
| LogP | 5.31068 |
| Topological Polar Surface Area | 59.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.22968 |
| Heavy Atoms | 37 |
| Complexity | 1278.7896 |
Chemical Identifiers
| CAS Number | 99756-32-8 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC4(C5=CC=CC=C5CSC6=CC=CC=C64)C#N |
Product Overview
Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- (CAS 99756-32-8), with molecular formula C31H32N4OS and molecular weight 508.23 g/mol. IUPAC: 11-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile.
Chemical Property Profile of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-
Property Insights of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-
The XLogP value of 5.31068 indicates that Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.37 Ų, Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-?
The CAS number of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- is 99756-32-8.
What is the molecular formula of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-?
The molecular formula of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- is C31H32N4OS.
What is the molecular weight of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-?
The molecular weight of Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- is 508.23 g/mol.
Where can I buy Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-?
You can request a quote for Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.