10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate
TL;DR: 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate (CAS 74667-85-9) is a chemical compound with molecular formula C29H26N8O16S2 and molecular weight 806.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine;bis(2,4,6-trinitrophenol)
Also Known As: 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate, 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, compd. with 2,4,6-trinitrophenol (1:2), N'-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl, 2,4,6-Trinitrophenol--N~1~-[8-(methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]ethane-1,2-diamine (2/1), N'-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine,2,4,6-trinitrophenol
| Molecular Formula | C29H26N8O16S2 |
|---|---|
| Molecular Weight | 806.09 g/mol |
| LogP | 4.6204 |
| Topological Polar Surface Area | 371.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 806.0908 |
| Heavy Atoms | 55 |
| Complexity | 2162.3945 |
Chemical Identifiers
| CAS Number | 74667-85-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)SC3=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
10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate (CAS 74667-85-9), with molecular formula C29H26N8O16S2 and molecular weight 806.09 g/mol. IUPAC: N'-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine;bis(2,4,6-trinitrophenol).
Chemical Property Profile of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate
Property Insights of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate
The XLogP value of 4.6204 indicates that 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 371.49 Ų indicates high polarity, suggesting 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate 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 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate?
The CAS number of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate is 74667-85-9.
What is the molecular formula of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate?
The molecular formula of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate is C29H26N8O16S2.
What is the molecular weight of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate?
The molecular weight of 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate is 806.09 g/mol.
Where can I buy 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate?
You can request a quote for 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate?
Yes, KEHONG BIO provides custom synthesis services for 10-(2-Aminoethylamino)-8-methylsulfonyl-10,11-dihydrodibenzo(b,f)thiepin dipicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.