![1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one structure](/static/products/1542/15422-31-8.webp)
1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
TL;DR: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one (CAS 15422-31-8) is a chemical compound with molecular formula C21H21Cl2N5O and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
Also Known As: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one, 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl, 1-Chloro-4-[4-({[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methyl}amino)phenyl]butan-2-one
| Molecular Formula | C21H21Cl2N5O |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.1123 |
| Heavy Atoms | 29 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 15422-31-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl |
| InChIKey | XBLQDJCJDYKEBU-UHFFFAOYSA-N |
Product Overview
1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one (CAS 15422-31-8), with molecular formula C21H21Cl2N5O and molecular weight 429.11 g/mol. IUPAC: 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one.
Chemical Property Profile of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
Property Insights of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one
The XLogP value of 3.8 indicates that 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one. Following Lipinski's Rule of Five, 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one has 3 hydrogen bond donor(s) and 6 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 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one?
The CAS number of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one is 15422-31-8.
What is the molecular formula of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one?
The molecular formula of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one is C21H21Cl2N5O.
What is the molecular weight of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one?
The molecular weight of 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one is 429.11 g/mol.
Where can I buy 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one?
You can request a quote for 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.