9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-
TL;DR: 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- (CAS 125802-46-2) is a chemical compound with molecular formula C18H13BrClN5 and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-N-(4-bromophenyl)-2-chloropurin-6-amine
Also Known As: 9-Benzyl-N-(4-bromophenyl)-2-chloro-9H-purin-6-amine, 9-benzyl-N-(4-bromophenyl)-2-chloropurin-6-amine, 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-, 9-benzyl-N-(4-bromophenyl)-2-chloro-purin-6-amine, 2-Chloro-6-(4-bromophenylamino)-9-benzyl-9H-purine
| Molecular Formula | C18H13BrClN5 |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 5.0341 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0043 |
| Heavy Atoms | 25 |
| Complexity | 1015.0132 |
Chemical Identifiers
| CAS Number | 125802-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC=C(C=C4)Br |
Product Overview
9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- (CAS 125802-46-2), with molecular formula C18H13BrClN5 and molecular weight 413.00 g/mol. IUPAC: 9-benzyl-N-(4-bromophenyl)-2-chloropurin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-
Property Insights of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-
The XLogP value of 5.0341 indicates that 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- 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, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- 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, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-?
The CAS number of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- is 125802-46-2.
What is the molecular formula of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-?
The molecular formula of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- is C18H13BrClN5.
What is the molecular weight of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-?
The molecular weight of 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- is 413.00 g/mol.
Where can I buy 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-?
You can request a quote for 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- 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, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, N-(4-bromophenyl)-2-chloro-9-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.