9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-
TL;DR: 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- (CAS 125802-45-1) is a chemical compound with molecular formula C19H13ClF3N5 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloro-N-[4-(trifluoromethyl)phenyl]purin-6-amine
Also Known As: 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-, 9-benzyl-2-chloro-N-[4-(trifluoromethyl)phenyl]purin-6-amine, 9-Benzyl-2-chloro-N-[4-(trifluoromethyl)phenyl]-9H-purin-6-amine, 9-Benzyl-2-chloro-6-(4-trifluoromethylphenylamino)-9H-purine, 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-[4-(trifluoromethyl)phenyl]-
| Molecular Formula | C19H13ClF3N5 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 5.2904 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.08115 |
| Heavy Atoms | 28 |
| Complexity | 1108.3296 |
Chemical Identifiers
| CAS Number | 125802-45-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC=C(C=C4)C(F)(F)F |
Product Overview
9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- (CAS 125802-45-1), with molecular formula C19H13ClF3N5 and molecular weight 403.08 g/mol. IUPAC: 9-benzyl-2-chloro-N-[4-(trifluoromethyl)phenyl]purin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-
Property Insights of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-
The XLogP value of 5.2904 indicates that 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-?
The CAS number of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- is 125802-45-1.
What is the molecular formula of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-?
The molecular formula of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- is C19H13ClF3N5.
What is the molecular weight of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-?
The molecular weight of 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- is 403.08 g/mol.
Where can I buy 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-?
You can request a quote for 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-N-(4-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.