N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
TL;DR: N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine (CAS 79817-71-3) is a chemical compound with molecular formula C10H7ClF2N4 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamine
Also Known As: N- benzene-1,3-diamine, EINECS 279-302-1, N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine, 3-N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamine, N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)-1,3-benzenediamine
| Molecular Formula | C10H7ClF2N4 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 2.734 |
| Topological Polar Surface Area | 63.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03275 |
| Heavy Atoms | 17 |
| Complexity | 561.9973 |
Chemical Identifiers
| CAS Number | 79817-71-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)N |
Product Overview
N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine (CAS 79817-71-3), with molecular formula C10H7ClF2N4 and molecular weight 256.03 g/mol. IUPAC: 3-N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamine.
Chemical Property Profile of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
Property Insights of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
The XLogP value of 2.734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine. The TPSA of 63.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine. Following Lipinski's Rule of Five, N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine 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 N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine?
The CAS number of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine is 79817-71-3.
What is the molecular formula of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine?
The molecular formula of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine is C10H7ClF2N4.
What is the molecular weight of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine?
The molecular weight of N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine is 256.03 g/mol.
Where can I buy N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine?
You can request a quote for N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.