1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-
TL;DR: 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- (CAS 125802-55-3) is a chemical compound with molecular formula C18H15ClN6 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(9-benzyl-2-chloropurin-6-yl)benzene-1,4-diamine
Also Known As: N1-(9-Benzyl-2-chloro-9H-purin-6-yl)benzene-1,4-diamine, 4-N-(9-benzyl-2-chloropurin-6-yl)benzene-1,4-diamine, 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-, 9-Benzyl-2-chloro-6-(4-aminophenylamino)-9H-purine, N1-(9-benzyl-2-chloro-purin-6-yl)benzene-1,4-diamine
| Molecular Formula | C18H15ClN6 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 3.8538 |
| Topological Polar Surface Area | 81.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.10468 |
| Heavy Atoms | 25 |
| Complexity | 1011.11304 |
Chemical Identifiers
| CAS Number | 125802-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC=C(C=C4)N |
Product Overview
1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- (CAS 125802-55-3), with molecular formula C18H15ClN6 and molecular weight 350.10 g/mol. IUPAC: 4-N-(9-benzyl-2-chloropurin-6-yl)benzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-
Property Insights of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-
The XLogP value of 3.8538 indicates that 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- has 2 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)-?
The CAS number of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- is 125802-55-3.
What is the molecular formula of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-?
The molecular formula of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- is C18H15ClN6.
What is the molecular weight of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-?
The molecular weight of 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- is 350.10 g/mol.
Where can I buy 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)-?
You can request a quote for 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N-(2-chloro-9-(phenylmethyl)-9H-purin-6-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.