Polymethylene-bis(2-amino-1,3-diazepine)
TL;DR: Polymethylene-bis(2-amino-1,3-diazepine) (CAS 85099-47-4) is a chemical compound with molecular formula C12H14I2N6 and molecular weight 495.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-diazepin-2-ylideneamino)ethyl]-1,3-diazepin-2-imine;dihydroiodide
Also Known As: Poly-bad, Polymethylene-bis(2-amino-1,3-diazepine), 1,2-Ethanediamine, N,N'-bis(2H-1,3-diazepin-2-ylidene)-, dihydriodide, N-[2-(1,3-diazepin-2-ylideneamino)ethyl]-1,3-diazepin-2-imine;dihydroiodide, 1,2-Ethanediamine,N,N'-bis(2H-1,3-diazepin-2-ylidene)-,dihydriodide
| Molecular Formula | C12H14I2N6 |
|---|---|
| Molecular Weight | 495.94 g/mol |
| LogP | 1.0042 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.93695 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 85099-47-4 |
|---|---|
| SMILES | C1=CC=NC(=NCCN=C2N=CC=CC=N2)N=C1.I.I |
| InChIKey | ZTKKPNUHVCFRLR-UHFFFAOYSA-N |
Product Overview
Polymethylene-bis(2-amino-1,3-diazepine) (CAS 85099-47-4), with molecular formula C12H14I2N6 and molecular weight 495.94 g/mol. IUPAC: N-[2-(1,3-diazepin-2-ylideneamino)ethyl]-1,3-diazepin-2-imine;dihydroiodide.
Chemical Property Profile of Polymethylene-bis(2-amino-1,3-diazepine)
Property Insights of Polymethylene-bis(2-amino-1,3-diazepine)
The XLogP value of 1.0042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Polymethylene-bis(2-amino-1,3-diazepine). The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Polymethylene-bis(2-amino-1,3-diazepine). Following Lipinski's Rule of Five, Polymethylene-bis(2-amino-1,3-diazepine) has 2 hydrogen bond donor(s) and 2 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 Polymethylene-bis(2-amino-1,3-diazepine)?
The CAS number of Polymethylene-bis(2-amino-1,3-diazepine) is 85099-47-4.
What is the molecular formula of Polymethylene-bis(2-amino-1,3-diazepine)?
The molecular formula of Polymethylene-bis(2-amino-1,3-diazepine) is C12H14I2N6.
What is the molecular weight of Polymethylene-bis(2-amino-1,3-diazepine)?
The molecular weight of Polymethylene-bis(2-amino-1,3-diazepine) is 495.94 g/mol.
Where can I buy Polymethylene-bis(2-amino-1,3-diazepine)?
You can request a quote for Polymethylene-bis(2-amino-1,3-diazepine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polymethylene-bis(2-amino-1,3-diazepine)?
Yes, KEHONG BIO provides custom synthesis services for Polymethylene-bis(2-amino-1,3-diazepine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.