3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-
TL;DR: 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- (CAS 99973-44-1) is a chemical compound with molecular formula C11H9N5O and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile
Also Known As: 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-, 2-Amino-6-isopropoxy-3,4,5-pyridinetricarbonitrile, 4-22-00-06948 (Beilstein Handbook Reference), 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile, 2-amino-6-(propan-2-yloxy)pyridine-3,4,5-tricarbonitrile
| Molecular Formula | C11H9N5O |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 1.06604 |
| Topological Polar Surface Area | 119.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0807 |
| Heavy Atoms | 17 |
| Complexity | 571.48553 |
Chemical Identifiers
| CAS Number | 99973-44-1 |
|---|---|
| SMILES | CC(C)OC1=C(C(=C(C(=N1)N)C#N)C#N)C#N |
Product Overview
3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- (CAS 99973-44-1), with molecular formula C11H9N5O and molecular weight 227.08 g/mol. IUPAC: 2-amino-6-propan-2-yloxypyridine-3,4,5-tricarbonitrile.
Chemical Property Profile of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-
Property Insights of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-
The XLogP value of 1.06604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-. The TPSA of 119.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-. Following Lipinski's Rule of Five, 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- has 1 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 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-?
The CAS number of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- is 99973-44-1.
What is the molecular formula of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-?
The molecular formula of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- is C11H9N5O.
What is the molecular weight of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-?
The molecular weight of 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- is 227.08 g/mol.
Where can I buy 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-?
You can request a quote for 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Pyridinetricarbonitrile, 2-amino-6-isopropoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.