6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺
TL;DR: 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 (CAS 882767-49-9) is a chemical compound with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺
6-chloro-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
Also Known As: NCIOpen2_005839, 6-chloro-N4-(1-phenylethyl)pyrimidine-4,5-diamine, 6-chloro-4-N-(1-phenylethyl)pyrimidine-4,5-diamine, 6-CHLORO-N4-(1-PHENYL-ETHYL)-PYRIMIDINE-4,5-DIAMINE, 6-Chloro-N~4~-(1-phenylethyl)pyrimidine-4,5-diamine
| Molecular Formula | C12H13ClN4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.08287 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 882767-49-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C(=NC=N2)Cl)N |
| InChIKey | DLNCMMJXFCBSMN-UHFFFAOYSA-N |
Product Overview
6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 (CAS 882767-49-9), with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol. IUPAC: 6-chloro-4-N-(1-phenylethyl)pyrimidine-4,5-diamine.
Chemical Property Profile of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺
Property Insights of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺. Following Lipinski's Rule of Five, 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 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 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺?
The CAS number of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 is 882767-49-9.
What is the molecular formula of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺?
The molecular formula of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 is C12H13ClN4.
What is the molecular weight of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺?
The molecular weight of 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 is 248.08 g/mol.
Where can I buy 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺?
You can request a quote for 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-N4-(1-苯乙基)嘧啶-4,5-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.