5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-
TL;DR: 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- (CAS 35809-78-0) is a chemical compound with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Also Known As: RA(sub 13), p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(phenylmethyl)-, 5H-1,4-DITHIINO(2,3-c)PYRROLE-5,7(6H)-DIONE, 2,3-DIHYDRO-6-(PHENYLMETHYL)-, N-benzyl-3,6-dithiacyclohexene-1,2-dicarboximide, 2,3-Dihydro-6-(phenylmethyl)-5H-1,4-dithiino(2,3-c)pyrrole-5,7(6H)-dione
| Molecular Formula | C13H11NO2S2 |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.02313 |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 35809-78-0 |
|---|---|
| SMILES | C1CSC2=C(S1)C(=O)N(C2=O)CC3=CC=CC=C3 |
| InChIKey | CQEQDQJCWAFZPY-UHFFFAOYSA-N |
Product Overview
5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- (CAS 35809-78-0), with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol. IUPAC: 6-benzyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione.
Chemical Property Profile of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-
Property Insights of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-. Following Lipinski's Rule of Five, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- has 0 hydrogen bond donor(s) and 4 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 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-?
The CAS number of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- is 35809-78-0.
What is the molecular formula of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-?
The molecular formula of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- is C13H11NO2S2.
What is the molecular weight of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-?
The molecular weight of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- is 277.02 g/mol.
Where can I buy 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-?
You can request a quote for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.