N-Acetyl-5-(9H-purin-6-ylthio)norvaline
TL;DR: N-Acetyl-5-(9H-purin-6-ylthio)norvaline (CAS 20977-22-4) is a chemical compound with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid
Also Known As: N-ACETYL-5-(9H-PURIN-6-YLTHIO)NORVALINE, Norvaline, N-acetyl-5-(1H-purin-6-ylthio)-, 2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic Acid, N-Acetyl-5-[(7H-purin-6-yl)sulfanyl]norvaline
| Molecular Formula | C12H15N5O3S |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 0.8145 |
| Topological Polar Surface Area | 120.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.08957 |
| Heavy Atoms | 21 |
| Complexity | 644.60956 |
Chemical Identifiers
| CAS Number | 20977-22-4 |
|---|---|
| SMILES | CC(=O)NC(CCCSC1=NC=NC2=C1NC=N2)C(=O)O |
Product Overview
N-Acetyl-5-(9H-purin-6-ylthio)norvaline (CAS 20977-22-4), with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol. IUPAC: 2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid.
Chemical Property Profile of N-Acetyl-5-(9H-purin-6-ylthio)norvaline
Property Insights of N-Acetyl-5-(9H-purin-6-ylthio)norvaline
The XLogP value of 0.8145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-5-(9H-purin-6-ylthio)norvaline. The TPSA of 120.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-5-(9H-purin-6-ylthio)norvaline. Following Lipinski's Rule of Five, N-Acetyl-5-(9H-purin-6-ylthio)norvaline has 3 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 N-Acetyl-5-(9H-purin-6-ylthio)norvaline?
The CAS number of N-Acetyl-5-(9H-purin-6-ylthio)norvaline is 20977-22-4.
What is the molecular formula of N-Acetyl-5-(9H-purin-6-ylthio)norvaline?
The molecular formula of N-Acetyl-5-(9H-purin-6-ylthio)norvaline is C12H15N5O3S.
What is the molecular weight of N-Acetyl-5-(9H-purin-6-ylthio)norvaline?
The molecular weight of N-Acetyl-5-(9H-purin-6-ylthio)norvaline is 309.09 g/mol.
Where can I buy N-Acetyl-5-(9H-purin-6-ylthio)norvaline?
You can request a quote for N-Acetyl-5-(9H-purin-6-ylthio)norvaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-5-(9H-purin-6-ylthio)norvaline?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-5-(9H-purin-6-ylthio)norvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.