ethylenebismelamine
TL;DR: ethylenebismelamine (CAS 42447-68-7) is a chemical compound with molecular formula C25H17FN6O4S and molecular weight 516.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Also Known As: ethylenebismelamine, 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride, 4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride, 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]ben, 4-({3-[4-(6-Amino-7H-purin-8-yl)benzoyl]phenyl}carbamoyl)benzene-1-sulfonyl fluoride
| Molecular Formula | C25H17FN6O4S |
|---|---|
| Molecular Weight | 516.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1016 |
| Heavy Atoms | 37 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 42447-68-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5=NC=NC(=C5N4)N |
| InChIKey | PTRUEFPCAGXHGV-UHFFFAOYSA-N |
Product Overview
ethylenebismelamine (CAS 42447-68-7), with molecular formula C25H17FN6O4S and molecular weight 516.10 g/mol. IUPAC: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of ethylenebismelamine
Property Insights of ethylenebismelamine
The XLogP value of 4.3 indicates that ethylenebismelamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting ethylenebismelamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethylenebismelamine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethylenebismelamine?
The CAS number of ethylenebismelamine is 42447-68-7.
What is the molecular formula of ethylenebismelamine?
The molecular formula of ethylenebismelamine is C25H17FN6O4S.
What is the molecular weight of ethylenebismelamine?
The molecular weight of ethylenebismelamine is 516.10 g/mol.
Where can I buy ethylenebismelamine?
You can request a quote for ethylenebismelamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethylenebismelamine?
Yes, KEHONG BIO provides custom synthesis services for ethylenebismelamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.