butyl 4-(9H-purin-6-ylamino)benzoate
TL;DR: butyl 4-(9H-purin-6-ylamino)benzoate (CAS 537666-83-4) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(7H-purin-6-ylamino)benzoate
Also Known As: butyl 4-(9H-purin-6-ylamino)benzoate, butyl 4-(purin-6-ylamino)benzoate, butyl 4-(7H-purin-6-ylamino)benzoate, AB00431220-05
| Molecular Formula | C16H17N5O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 3.0534 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1382 |
| Heavy Atoms | 23 |
| Complexity | 797.59564 |
Chemical Identifiers
| CAS Number | 537666-83-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3 |
Product Overview
butyl 4-(9H-purin-6-ylamino)benzoate (CAS 537666-83-4), with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol. IUPAC: butyl 4-(7H-purin-6-ylamino)benzoate.
Chemical Property Profile of butyl 4-(9H-purin-6-ylamino)benzoate
Property Insights of butyl 4-(9H-purin-6-ylamino)benzoate
The XLogP value of 3.0534 indicates that butyl 4-(9H-purin-6-ylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.79 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-(9H-purin-6-ylamino)benzoate. Following Lipinski's Rule of Five, butyl 4-(9H-purin-6-ylamino)benzoate has 2 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 butyl 4-(9H-purin-6-ylamino)benzoate?
The CAS number of butyl 4-(9H-purin-6-ylamino)benzoate is 537666-83-4.
What is the molecular formula of butyl 4-(9H-purin-6-ylamino)benzoate?
The molecular formula of butyl 4-(9H-purin-6-ylamino)benzoate is C16H17N5O2.
What is the molecular weight of butyl 4-(9H-purin-6-ylamino)benzoate?
The molecular weight of butyl 4-(9H-purin-6-ylamino)benzoate is 311.14 g/mol.
Where can I buy butyl 4-(9H-purin-6-ylamino)benzoate?
You can request a quote for butyl 4-(9H-purin-6-ylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-(9H-purin-6-ylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(9H-purin-6-ylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.