![[3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate structure](/static/products/1258/125802-60-0.webp)
[3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate
TL;DR: [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate (CAS 125802-60-0) is a chemical compound with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate
Also Known As: [3-[(9-benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate|[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate|Phenol, 3-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-, propanoate (ester)|3-[(9-Benzyl-2-chloro-9H-purin-6-yl)amino]phenyl propanoate|Ethyl 3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]benzoate|Benzoic acid, 3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-, ethyl ester|Phenol, 3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-, propanoate (ester)|Phenol,3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-,propanoate (ester)
| Molecular Formula | C21H18ClN5O2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 4.587 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1149 |
| Heavy Atoms | 29 |
| Complexity | 1160.4252 |
Chemical Identifiers
| CAS Number | 125802-60-0 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC(=C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)CC4=CC=CC=C4 |
Product Overview
[3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate (CAS 125802-60-0), with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol. IUPAC: [3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl] propanoate.
Chemical Property Profile of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate
Property Insights of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate
The XLogP value of 4.587 indicates that [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate. Following Lipinski's Rule of Five, [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate has 1 hydrogen bond donor(s) and 6 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 [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate?
The CAS number of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate is 125802-60-0.
What is the molecular formula of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate?
The molecular formula of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate is C21H18ClN5O2.
What is the molecular weight of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate?
The molecular weight of [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate is 407.11 g/mol.
Where can I buy [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate?
You can request a quote for [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(9-Benzyl-2-chloro-purin-6-yl)amino]phenyl] propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.