3-Pyridylalanine
TL;DR: 3-Pyridylalanine (CAS 76472-91-8) is a chemical compound with molecular formula C11H21N7O4S and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide;sulfuric acid
Also Known As: 3-Pyridylalanine, Cyanamide (4,6-bis((1-methylethylamino)-1,3,5-triazin-2-yl)methyl-, sulfate (1:1), [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide; sulfuric acid, Sulfuric acid--{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}(methyl)cyanamide (1/1)
| Molecular Formula | C11H21N7O4S |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.77668 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13757 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 76472-91-8 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)N(C)C#N)NC(C)C.OS(=O)(=O)O |
| InChIKey | SWEZYJDYODQJSN-UHFFFAOYSA-N |
Product Overview
3-Pyridylalanine (CAS 76472-91-8), with molecular formula C11H21N7O4S and molecular weight 347.14 g/mol. IUPAC: [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide;sulfuric acid.
Chemical Property Profile of 3-Pyridylalanine
Property Insights of 3-Pyridylalanine
The XLogP value of 0.77668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridylalanine. The TPSA of 173.0 Ų indicates high polarity, suggesting 3-Pyridylalanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pyridylalanine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridylalanine?
The CAS number of 3-Pyridylalanine is 76472-91-8.
What is the molecular formula of 3-Pyridylalanine?
The molecular formula of 3-Pyridylalanine is C11H21N7O4S.
What is the molecular weight of 3-Pyridylalanine?
The molecular weight of 3-Pyridylalanine is 347.14 g/mol.
Where can I buy 3-Pyridylalanine?
You can request a quote for 3-Pyridylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridylalanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.