7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab
TL;DR: 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab (CAS 81411-29-2) is a chemical compound with molecular formula C13H14N4O2S2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
Also Known As: 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab, 6,8-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-Dimethyl-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-3,7,9-trione 3-(phenylhydrazone), 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione, 7,9-dimethyl-3-(phenylhydrazono)-2,4-dithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
| Molecular Formula | C13H14N4O2S2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.05582 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 81411-29-2 |
|---|---|
| SMILES | CN1C2C(=O)N(C(C1=O)SC(=NNC3=CC=CC=C3)S2)C |
| InChIKey | VYVAFSCPCUEYGO-UHFFFAOYSA-N |
Product Overview
7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab (CAS 81411-29-2), with molecular formula C13H14N4O2S2 and molecular weight 322.06 g/mol. IUPAC: 6,8-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione.
Chemical Property Profile of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab
Property Insights of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab. Following Lipinski's Rule of Five, 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab has 1 hydrogen bond donor(s) and 6 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 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab?
The CAS number of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab is 81411-29-2.
What is the molecular formula of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab?
The molecular formula of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab is C13H14N4O2S2.
What is the molecular weight of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab?
The molecular weight of 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab is 322.06 g/mol.
Where can I buy 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab?
You can request a quote for 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab?
Yes, KEHONG BIO provides custom synthesis services for 7,9-dimethyl-3-(phenylhydrazinylidene)-2,4-dithia-7,9-diazab and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.