1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-
TL;DR: 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- (CAS 3330-61-8) is a chemical compound with molecular formula C13H23N3OS and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfinyl-2-N,2-N-dipropylbenzene-1,2,3-triamine
Also Known As: 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-, 4-(methylsulfinyl)-n2,n2-dipropylbenzene-1,2,3-triamine, 4-methylsulfinyl-N2,N2-dipropyl-benzene-1,2,3-triamine, 4-methylsulfinyl-2-N,2-N-dipropylbenzene-1,2,3-triamine, 4-(Methanesulfinyl)-N~2~,N~2~-dipropylbenzene-1,2,3-triamine
| Molecular Formula | C13H23N3OS |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.1562 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 3330-61-8 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=CC(=C1N)S(=O)C)N |
| InChIKey | PCZUTFUYVJUGEL-UHFFFAOYSA-N |
Product Overview
1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- (CAS 3330-61-8), with molecular formula C13H23N3OS and molecular weight 269.16 g/mol. IUPAC: 4-methylsulfinyl-2-N,2-N-dipropylbenzene-1,2,3-triamine.
Chemical Property Profile of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-
Property Insights of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-. Following Lipinski's Rule of Five, 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- has 2 hydrogen bond donor(s) and 5 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 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-?
The CAS number of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- is 3330-61-8.
What is the molecular formula of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-?
The molecular formula of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- is C13H23N3OS.
What is the molecular weight of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-?
The molecular weight of 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- is 269.16 g/mol.
Where can I buy 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-?
You can request a quote for 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzenetriamine, 5-(methylsulfinyl)-N2,N2-dipropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.