4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
TL;DR: 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- (CAS 132344-97-9) is a chemical compound with molecular formula C11H21NS2 and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-4-methyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
Also Known As: 2-Benzoyl-N-(4-nitrophenyl)benzamide, Benzamide, 2-benzoyl-N-(4-nitrophenyl)-, 2-butyl-4-methyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine, 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-, 2-butyl-4-methyl(4H)pyrrolidino(1,2d)-1,3,5-dithiazine
| Molecular Formula | C11H21NS2 |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.11154 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 132344-97-9 |
|---|---|
| SMILES | CCCCC1SC(N2CCCC2S1)C |
| InChIKey | NCUIAOPINFJUBZ-UHFFFAOYSA-N |
Product Overview
4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- (CAS 132344-97-9), with molecular formula C11H21NS2 and molecular weight 231.11 g/mol. IUPAC: 2-butyl-4-methyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
Chemical Property Profile of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
Property Insights of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
The XLogP value of 4.5 indicates that 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- has 0 hydrogen bond donor(s) and 3 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 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-?
The CAS number of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- is 132344-97-9.
What is the molecular formula of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-?
The molecular formula of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- is C11H21NS2.
What is the molecular weight of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-?
The molecular weight of 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- is 231.11 g/mol.
Where can I buy 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-?
You can request a quote for 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.