N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
TL;DR: N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine (CAS 67704-83-0) is a chemical compound with molecular formula C13H21N7 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
Also Known As: BAS 01076356, Allyl-(4,6-bis-isopropylamino-[1,3,5]triazin-2-yl)-cyanamide, Allyl[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]cyanamide, Allyl[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]cyanamide #, [4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl](2-propenyl)cyanamide
| Molecular Formula | C13H21N7 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.18585 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 67704-83-0 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)N(CC=C)C#N)NC(C)C |
| InChIKey | MALGHLAZCXQCPJ-UHFFFAOYSA-N |
Product Overview
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine (CAS 67704-83-0), with molecular formula C13H21N7 and molecular weight 275.19 g/mol. IUPAC: [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide.
Chemical Property Profile of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
Property Insights of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
The XLogP value of 3.4 indicates that N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine. Following Lipinski's Rule of Five, N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine has 2 hydrogen bond donor(s) and 7 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 N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine?
The CAS number of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine is 67704-83-0.
What is the molecular formula of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine?
The molecular formula of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine is C13H21N7.
What is the molecular weight of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine?
The molecular weight of N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine is 275.19 g/mol.
Where can I buy N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine?
You can request a quote for N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.