Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
TL;DR: Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate (CAS 20906-52-9) is a chemical compound with molecular formula C23H25N3O6S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-4-ium
Also Known As: Nitrothepin maleate, Nitrothiepine maleate, DIBENZO(b,f)THIEPIN, 10,11-DIHYDRO-10-(4-METHYLPIPERAZINO)-8-NITRO-, MALEATE, 8-Nitro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-8-nitrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate
| Molecular Formula | C23H25N3O6S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 0.5506 |
| Topological Polar Surface Area | 128.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.1464 |
| Heavy Atoms | 33 |
| Complexity | 1049.9124 |
Chemical Identifiers
| CAS Number | 20906-52-9 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[N+](=O)[O-].C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate (CAS 20906-52-9), with molecular formula C23H25N3O6S and molecular weight 471.15 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;1-methyl-4-(3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-4-ium.
Chemical Property Profile of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
Property Insights of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate
The XLogP value of 0.5506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate. The TPSA of 128.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate has 2 hydrogen bond donor(s) and 7 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 Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate?
The CAS number of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate is 20906-52-9.
What is the molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate?
The molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate is C23H25N3O6S.
What is the molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate?
The molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate is 471.15 g/mol.
Where can I buy Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate?
You can request a quote for Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-8-nitro-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.