RefChem:1101065
TL;DR: RefChem:1101065 (CAS 29622-48-8) is a chemical compound with molecular formula C16H17Cl6N5 and molecular weight 488.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]propane-1,3-diamine
Also Known As: WR 99,662, WR 99662, s-Triazine,.alpha.,.alpha.-trichloro-m-tolyl)-, 1,3-Propanediamine, N,N-dimethyl-N'-(4-(trichloromethyl)-6-(3-(trichloromethyl)phenyl)-1,3,5-triazin-2-yl)-, C(Cl)(Cl)(Cl)c1nc(NCCCN(C)C)nc(n1)c2cccc(c2)C(Cl)(Cl)Cl
| Molecular Formula | C16H17Cl6N5 |
|---|---|
| Molecular Weight | 488.96 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.95856 |
| Heavy Atoms | 27 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 29622-48-8 |
|---|---|
| SMILES | CN(C)CCCNC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C2=CC(=CC=C2)C(Cl)(Cl)Cl |
| InChIKey | SDSMMBWQNDFCEX-UHFFFAOYSA-N |
Product Overview
RefChem:1101065 (CAS 29622-48-8), with molecular formula C16H17Cl6N5 and molecular weight 488.96 g/mol. IUPAC: N',N'-dimethyl-N-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]propane-1,3-diamine.
Chemical Property Profile of RefChem:1101065
Property Insights of RefChem:1101065
The XLogP value of 5.6 indicates that RefChem:1101065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, RefChem:1101065 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1101065 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1101065?
The CAS number of RefChem:1101065 is 29622-48-8.
What is the molecular formula of RefChem:1101065?
The molecular formula of RefChem:1101065 is C16H17Cl6N5.
What is the molecular weight of RefChem:1101065?
The molecular weight of RefChem:1101065 is 488.96 g/mol.
Where can I buy RefChem:1101065?
You can request a quote for RefChem:1101065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1101065?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1101065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.