4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine
TL;DR: 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine (CAS 59637-57-9) is a chemical compound with molecular formula C8H12Cl2N4 and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine
Also Known As: 2,4-Pyrimidinediamine, N4,N4-bis(2-chloroethyl)-, 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine
| Molecular Formula | C8H12Cl2N4 |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.0439 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 59637-57-9 |
|---|---|
| SMILES | C1=CN=C(N=C1N(CCCl)CCCl)N |
| InChIKey | MVALOUCLNFZNNA-UHFFFAOYSA-N |
Product Overview
4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine (CAS 59637-57-9), with molecular formula C8H12Cl2N4 and molecular weight 234.04 g/mol. IUPAC: 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine.
Chemical Property Profile of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine
Property Insights of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine. With a topological polar surface area (TPSA) of 55.0 Ų, 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine has 1 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 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine?
The CAS number of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine is 59637-57-9.
What is the molecular formula of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine?
The molecular formula of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine is C8H12Cl2N4.
What is the molecular weight of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine?
The molecular weight of 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine is 234.04 g/mol.
Where can I buy 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine?
You can request a quote for 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N,4-N-bis(2-chloroethyl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.