D043-0115
TL;DR: D043-0115 (CAS 891035-68-0) is a chemical compound with molecular formula C20H18BrN5O and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(4-bromophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: D043-0115, 6-BENZYL-2-{[(4-BROMOPHENYL)METHYL]AMINO}-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE, 6-Benzyl-2-((4-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one, 6-benzyl-2-[(4-bromophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C20H18BrN5O |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 3.69142 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.06946 |
| Heavy Atoms | 27 |
| Complexity | 1132.9661 |
Chemical Identifiers
| CAS Number | 891035-68-0 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)Br)CC4=CC=CC=C4 |
Product Overview
D043-0115 (CAS 891035-68-0), with molecular formula C20H18BrN5O and molecular weight 423.07 g/mol. IUPAC: 6-benzyl-2-[(4-bromophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of D043-0115
Property Insights of D043-0115
The XLogP value of 3.69142 indicates that D043-0115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for D043-0115. Following Lipinski's Rule of Five, D043-0115 has 2 hydrogen bond donor(s) and 4 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 D043-0115?
The CAS number of D043-0115 is 891035-68-0.
What is the molecular formula of D043-0115?
The molecular formula of D043-0115 is C20H18BrN5O.
What is the molecular weight of D043-0115?
The molecular weight of D043-0115 is 423.07 g/mol.
Where can I buy D043-0115?
You can request a quote for D043-0115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D043-0115?
Yes, KEHONG BIO provides custom synthesis services for D043-0115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.