1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)
TL;DR: 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) (CAS 74667-87-1) is a chemical compound with molecular formula C29H26N8O17S2 and molecular weight 822.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine;bis(2,4,6-trinitrophenol)
Also Known As: 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2), 11-[(2-Aminoethyl)amino]-2-(methanesulfonyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--2,4,6-trinitrophenol (1/2), N'-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine,2,4,6-trinitrophenol, N'-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine; 2,4,6-trinitrophenol, RefChem:216279
| Molecular Formula | C29H26N8O17S2 |
|---|---|
| Molecular Weight | 822.09 g/mol |
| LogP | 3.6359 |
| Topological Polar Surface Area | 388.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 822.08575 |
| Heavy Atoms | 56 |
| Complexity | 2248.1025 |
Chemical Identifiers
| CAS Number | 74667-87-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2NCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) (CAS 74667-87-1), with molecular formula C29H26N8O17S2 and molecular weight 822.09 g/mol. IUPAC: N'-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine;bis(2,4,6-trinitrophenol).
Chemical Property Profile of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)
Property Insights of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)
The XLogP value of 3.6359 indicates that 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 388.56 Ų indicates high polarity, suggesting 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)?
The CAS number of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) is 74667-87-1.
What is the molecular formula of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)?
The molecular formula of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) is C29H26N8O17S2.
What is the molecular weight of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)?
The molecular weight of 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) is 822.09 g/mol.
Where can I buy 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)?
You can request a quote for 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, compd. with 2,4,6-trinitrophenol (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.