methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate
TL;DR: methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate (CAS 383377-98-8) is a chemical compound with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate
Also Known As: methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate, methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate
| Molecular Formula | C15H15N5O2 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 2.2021 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1226 |
| Heavy Atoms | 22 |
| Complexity | 781.98694 |
Chemical Identifiers
| CAS Number | 383377-98-8 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3 |
Product Overview
methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate (CAS 383377-98-8), with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol. IUPAC: methyl 3-[4-(7H-purin-6-ylamino)phenyl]propanoate.
Chemical Property Profile of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate
Property Insights of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate
The XLogP value of 2.2021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate. The TPSA of 92.79 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate. Following Lipinski's Rule of Five, methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate 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 methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate?
The CAS number of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate is 383377-98-8.
What is the molecular formula of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate?
The molecular formula of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate is C15H15N5O2.
What is the molecular weight of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate?
The molecular weight of methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate is 297.12 g/mol.
Where can I buy methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate?
You can request a quote for methyl 3-(4-((9H-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 methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-((9H-purin-6-yl)amino)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.