Bis(aminoethyl-alpha-disulfone)
TL;DR: Bis(aminoethyl-alpha-disulfone) (CAS 115839-52-6) is a chemical compound with molecular formula C13H27N5 and molecular weight 253.22664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)propyl]guanidine
Also Known As: Bamads, Bis(aminoethyl-alpha-disulfone), 2-[3-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)propyl]guanidine, Guanidine, (3-(octahydropyrido(1,2-alpha)(1,4)diazepin-2(3H)-yl)propyl)-,, N-[3-(Octahydropyrido[1,2-a][1,4]diazepin-2(3H)-yl)propyl]guanidine
Technical Specifications
| Molecular Formula | C13H27N5 |
| Molecular Weight | 253.22664 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.22664 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | C1CCN2CCCN(CC2C1)CCCN=C(N)N |
| InChIKey | AUWYSECDKOAUNS-UHFFFAOYSA-N |
Chemical Property Profile of Bis(aminoethyl-alpha-disulfone)
Property Insights of Bis(aminoethyl-alpha-disulfone)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(aminoethyl-alpha-disulfone). The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(aminoethyl-alpha-disulfone). Following Lipinski's Rule of Five, Bis(aminoethyl-alpha-disulfone) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(aminoethyl-alpha-disulfone)?
The CAS number of Bis(aminoethyl-alpha-disulfone) is 115839-52-6.
What is the molecular formula of Bis(aminoethyl-alpha-disulfone)?
The molecular formula of Bis(aminoethyl-alpha-disulfone) is C13H27N5.
What is the molecular weight of Bis(aminoethyl-alpha-disulfone)?
The molecular weight of Bis(aminoethyl-alpha-disulfone) is 253.22664 g/mol.
Where can I buy Bis(aminoethyl-alpha-disulfone)?
You can request a quote for Bis(aminoethyl-alpha-disulfone) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(aminoethyl-alpha-disulfone)?
Yes, CoreyChem provides custom synthesis services for Bis(aminoethyl-alpha-disulfone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.