A1016/0047580
TL;DR: A1016/0047580 (CAS 328032-18-4) is a chemical compound with molecular formula C21H21Br2N7O2 and molecular weight 561.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
Also Known As: A1016/0047580, 3,5-Dibromo-2-methoxybenzaldehyde 2-[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazone, 2-N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine, 4-{2-[(3,5-Dibromo-2-methoxyphenyl)methylidene]hydrazinyl}-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
| Molecular Formula | C21H21Br2N7O2 |
|---|---|
| Molecular Weight | 561.01 g/mol |
| LogP | 4.4314 |
| Topological Polar Surface Area | 96.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 561.0123 |
| Heavy Atoms | 32 |
| Complexity | 1093.0063 |
Chemical Identifiers
| CAS Number | 328032-18-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4 |
Product Overview
A1016/0047580 (CAS 328032-18-4), with molecular formula C21H21Br2N7O2 and molecular weight 561.01 g/mol. IUPAC: 2-N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of A1016/0047580
Property Insights of A1016/0047580
The XLogP value of 4.4314 indicates that A1016/0047580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A1016/0047580. Following Lipinski's Rule of Five, A1016/0047580 has 2 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 A1016/0047580?
The CAS number of A1016/0047580 is 328032-18-4.
What is the molecular formula of A1016/0047580?
The molecular formula of A1016/0047580 is C21H21Br2N7O2.
What is the molecular weight of A1016/0047580?
The molecular weight of A1016/0047580 is 561.01 g/mol.
Where can I buy A1016/0047580?
You can request a quote for A1016/0047580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1016/0047580?
Yes, KEHONG BIO provides custom synthesis services for A1016/0047580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.