3-Hexadecanone
TL;DR: 3-Hexadecanone (CAS 30355-65-8) is a chemical compound with molecular formula C10H9Cl2N5 and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dichloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
Also Known As: 3-Hexadecanone, J1.612.657H, N-Phenyl-6-(dichloromethyl)-s-triazine-2,4-diamine, 2-AMINO-4-ANILINO-6-DICHLOROMETHYL-S-TRIAZINE, 6-(dichloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
| Molecular Formula | C10H9Cl2N5 |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0235 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 30355-65-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(Cl)Cl |
| InChIKey | OYKDYMLKGGLWFP-UHFFFAOYSA-N |
Product Overview
3-Hexadecanone (CAS 30355-65-8), with molecular formula C10H9Cl2N5 and molecular weight 269.02 g/mol. IUPAC: 6-(dichloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 3-Hexadecanone
Property Insights of 3-Hexadecanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexadecanone. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexadecanone. Following Lipinski's Rule of Five, 3-Hexadecanone 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 3-Hexadecanone?
The CAS number of 3-Hexadecanone is 30355-65-8.
What is the molecular formula of 3-Hexadecanone?
The molecular formula of 3-Hexadecanone is C10H9Cl2N5.
What is the molecular weight of 3-Hexadecanone?
The molecular weight of 3-Hexadecanone is 269.02 g/mol.
Where can I buy 3-Hexadecanone?
You can request a quote for 3-Hexadecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexadecanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexadecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.