N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester
TL;DR: N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester (CAS 22181-94-8) is a chemical compound with molecular formula C14H19N5O3S and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate
Also Known As: Benin, Butocin, Butocine, butoglycine, benin spofa
| Molecular Formula | C14H19N5O3S |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 337.12085 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 22181-94-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2 |
| InChIKey | GOZRRIWDZQPGMN-UHFFFAOYSA-N |
Product Overview
N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester (CAS 22181-94-8), with molecular formula C14H19N5O3S and molecular weight 337.12 g/mol. IUPAC: ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate.
Chemical Property Profile of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester
Property Insights of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester. Following Lipinski's Rule of Five, N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester has 2 hydrogen bond donor(s) and 7 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 N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester?
The CAS number of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester is 22181-94-8.
What is the molecular formula of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester?
The molecular formula of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester is C14H19N5O3S.
What is the molecular weight of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester?
The molecular weight of N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester is 337.12 g/mol.
Where can I buy N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester?
You can request a quote for N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Oxo-5-(9H-purin-6-ylthio)pentyl)glycine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.