(2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid
TL;DR: (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid (CAS 31981-64-3) is a chemical compound with molecular formula C10H13N5O2 and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid
Also Known As: Valine, N-purin-6-yl-, L-, NCIStruc1_000541, NCIStruc2_000386, N-7H-Purin-6-yl-L-valine, (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid
| Molecular Formula | C10H13N5O2 |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 0.874 |
| Topological Polar Surface Area | 103.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.10692 |
| Heavy Atoms | 17 |
| Complexity | 536.2307 |
Chemical Identifiers
| CAS Number | 31981-64-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC1=NC=NC2=C1NC=N2 |
Product Overview
(2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid (CAS 31981-64-3), with molecular formula C10H13N5O2 and molecular weight 235.11 g/mol. IUPAC: (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid
Property Insights of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid
The XLogP value of 0.874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid has 3 hydrogen bond donor(s) and 5 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 (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid?
The CAS number of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid is 31981-64-3.
What is the molecular formula of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid?
The molecular formula of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid is C10H13N5O2.
What is the molecular weight of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid?
The molecular weight of (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid is 235.11 g/mol.
Where can I buy (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid?
You can request a quote for (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-(7H-purin-6-ylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.