1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-
TL;DR: 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- (CAS 125802-51-9) is a chemical compound with molecular formula C20H19ClN6 and molecular weight 378.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(9-benzyl-2-chloropurin-6-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-, 1-N-(9-benzyl-2-chloropurin-6-yl)-4-N,4-N-dimethylbenzene-1,4-diamine, N4-(2-Chloro-9-(phenylmethyl)-9H-purin-6-yl)-N1,N1-dimethyl-1,4-benzenediamine, 9-Benzyl-2-chloro-6-(4-dimethylaminophenylamino)-9H-purine, 1,4-Benzenediamine,N4-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-N1,N1-dimethyl-
| Molecular Formula | C20H19ClN6 |
|---|---|
| Molecular Weight | 378.14 g/mol |
| LogP | 4.3376 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.136 |
| Heavy Atoms | 27 |
| Complexity | 1057.232 |
Chemical Identifiers
| CAS Number | 125802-51-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
Product Overview
1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- (CAS 125802-51-9), with molecular formula C20H19ClN6 and molecular weight 378.14 g/mol. IUPAC: 1-N-(9-benzyl-2-chloropurin-6-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-
Property Insights of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-
The XLogP value of 4.3376 indicates that 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.87 Ų, 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- has 1 hydrogen bond donor(s) and 5 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 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-?
The CAS number of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- is 125802-51-9.
What is the molecular formula of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-?
The molecular formula of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- is C20H19ClN6.
What is the molecular weight of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-?
The molecular weight of 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- is 378.14 g/mol.
Where can I buy 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-?
You can request a quote for 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N'-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.