9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-
TL;DR: 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- (CAS 125802-47-3) is a chemical compound with molecular formula C21H20ClN5O and molecular weight 393.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloro-N-(4-propan-2-yloxyphenyl)purin-6-amine
Also Known As: 9-Benzyl-2-chloro-N-(4-isopropoxyphenyl)-9H-purin-6-amine, 9-benzyl-2-chloro-N-[4-(propan-2-yloxy)phenyl]-9H-purin-6-amine, 9-benzyl-2-chloro-N-(4-propan-2-yloxyphenyl)purin-6-amine, 9-benzyl-2-chloro-N-(4-isopropoxyphenyl)purin-6-amine, 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-
| Molecular Formula | C21H20ClN5O |
|---|---|
| Molecular Weight | 393.14 g/mol |
| LogP | 5.0588 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.13565 |
| Heavy Atoms | 28 |
| Complexity | 1077.3602 |
Chemical Identifiers
| CAS Number | 125802-47-3 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
Product Overview
9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- (CAS 125802-47-3), with molecular formula C21H20ClN5O and molecular weight 393.14 g/mol. IUPAC: 9-benzyl-2-chloro-N-(4-propan-2-yloxyphenyl)purin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-
Property Insights of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-
The XLogP value of 5.0588 indicates that 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- has 1 hydrogen bond donor(s) and 5 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-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-?
The CAS number of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- is 125802-47-3.
What is the molecular formula of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-?
The molecular formula of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- is C21H20ClN5O.
What is the molecular weight of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-?
The molecular weight of 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- is 393.14 g/mol.
Where can I buy 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-?
You can request a quote for 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-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, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, 2-chloro-N-(4-(1-methylethoxy)phenyl)-9-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.