9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
TL;DR: 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- (CAS 125802-57-5) is a chemical compound with molecular formula C22H22ClN5O and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-N-(3-butoxyphenyl)-2-chloropurin-6-amine
Also Known As: 9-Benzyl-N-(3-butoxyphenyl)-2-chloro-9H-purin-6-amine, 9-benzyl-N-(3-butoxyphenyl)-2-chloropurin-6-amine, 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-, 9-Benzyl-2-chloro-6-(3-butoxyphenylamino)-9H-purine, 9-benzyl-N-(3-butoxyphenyl)-2-chloro-purin-6-amine
| Molecular Formula | C22H22ClN5O |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 5.4505 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.15128 |
| Heavy Atoms | 29 |
| Complexity | 1097.017 |
Chemical Identifiers
| CAS Number | 125802-57-5 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
Product Overview
9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- (CAS 125802-57-5), with molecular formula C22H22ClN5O and molecular weight 407.15 g/mol. IUPAC: 9-benzyl-N-(3-butoxyphenyl)-2-chloropurin-6-amine.
Chemical Property Profile of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
Property Insights of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
The XLogP value of 5.4505 indicates that 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-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, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-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, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-?
The CAS number of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- is 125802-57-5.
What is the molecular formula of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-?
The molecular formula of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- is C22H22ClN5O.
What is the molecular weight of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-?
The molecular weight of 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- is 407.15 g/mol.
Where can I buy 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-?
You can request a quote for 9H-Purin-6-amine, N-(3-butoxyphenyl)-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-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.