![Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate structure](/static/products/2340/23404-72-0.webp)
Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate
TL;DR: Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate (CAS 23404-72-0) is a chemical compound with molecular formula C18H27N5O3S and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate
Also Known As: 5976-VUFB, Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate, Ethyl N-{5-[(7H-purin-6-yl)sulfanyl]pentanoyl}leucinate, L-leucine,n-[1-oxo-5-(1h-purin-6-ylthio)pentyl]-, ethyl ester (9ci)
| Molecular Formula | C18H27N5O3S |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 2.7093 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 393.18347 |
| Heavy Atoms | 27 |
| Complexity | 749.42725 |
Chemical Identifiers
| CAS Number | 23404-72-0 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C)NC(=O)CCCCSC1=NC=NC2=C1NC=N2 |
Product Overview
Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate (CAS 23404-72-0), with molecular formula C18H27N5O3S and molecular weight 393.18 g/mol. IUPAC: ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate.
Chemical Property Profile of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate
Property Insights of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate
The XLogP value of 2.7093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate 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 Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate?
The CAS number of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate is 23404-72-0.
What is the molecular formula of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate?
The molecular formula of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate is C18H27N5O3S.
What is the molecular weight of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate?
The molecular weight of Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate is 393.18 g/mol.
Where can I buy Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate?
You can request a quote for Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.