N-9H-purin-6-ylvaline
TL;DR: N-9H-purin-6-ylvaline (CAS 6636-97-1) 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.
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
Also Known As: N-9H-purin-6-ylvaline, (9H-Purin-6-yl)valine, starbld0032831, N-purin-6-yl-dl-valine, N-(9H-purin-6-yl)valine
| 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 | 6636-97-1 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC1=NC=NC2=C1NC=N2 |
Product Overview
N-9H-purin-6-ylvaline (CAS 6636-97-1), with molecular formula C10H13N5O2 and molecular weight 235.11 g/mol. IUPAC: 3-methyl-2-(7H-purin-6-ylamino)butanoic acid.
Chemical Property Profile of N-9H-purin-6-ylvaline
Property Insights of N-9H-purin-6-ylvaline
The XLogP value of 0.874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-9H-purin-6-ylvaline. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-9H-purin-6-ylvaline. Following Lipinski's Rule of Five, N-9H-purin-6-ylvaline 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 N-9H-purin-6-ylvaline?
The CAS number of N-9H-purin-6-ylvaline is 6636-97-1.
What is the molecular formula of N-9H-purin-6-ylvaline?
The molecular formula of N-9H-purin-6-ylvaline is C10H13N5O2.
What is the molecular weight of N-9H-purin-6-ylvaline?
The molecular weight of N-9H-purin-6-ylvaline is 235.11 g/mol.
Where can I buy N-9H-purin-6-ylvaline?
You can request a quote for N-9H-purin-6-ylvaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-9H-purin-6-ylvaline?
Yes, KEHONG BIO provides custom synthesis services for N-9H-purin-6-ylvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.