6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine
TL;DR: 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine (CAS 339016-03-4) is a chemical compound with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
Also Known As: 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine, 6-chloro-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine, 6-chloro-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine, 7L-814, F3304-0015
| Molecular Formula | C16H13ClN4O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 4.2481 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0778 |
| Heavy Atoms | 22 |
| Complexity | 742.6094 |
Chemical Identifiers
| CAS Number | 339016-03-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=CC(=NC(=N3)N)Cl |
Product Overview
6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine (CAS 339016-03-4), with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol. IUPAC: 6-chloro-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine
Property Insights of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine
The XLogP value of 4.2481 indicates that 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine. Following Lipinski's Rule of Five, 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine 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 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine?
The CAS number of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine is 339016-03-4.
What is the molecular formula of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine?
The molecular formula of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine is C16H13ClN4O.
What is the molecular weight of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine?
The molecular weight of 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine is 312.08 g/mol.
Where can I buy 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine?
You can request a quote for 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N~4~-(4-phenoxyphenyl)-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.